data_2yre_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 2yre _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.3 m170 -107.99 108.81 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' HIS . 40.6 t -37.11 -44.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 28.8 t60 -68.71 -66.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.3 m -44.51 -56.34 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 12' ' ' ASN . 21.4 m -46.88 -26.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' HG23 ' A' ' 11' ' ' VAL . 2.0 m-80 -119.98 36.02 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -128.55 100.48 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.91 -42.71 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -45.92 122.57 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -74.75 -36.54 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 5.0 ttt85 -86.44 32.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.491 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.34 135.7 57.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.2 mtt -129.94 48.76 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 128.16 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -43.55 120.5 3.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.56 1.52 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' SER . 12.3 tp10 -102.02 140.29 21.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.683 0.754 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.73 88.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.41 -29.44 3.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.14 -58.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.563 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 6.6 p -142.14 144.99 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.2 p -109.13 167.01 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 146.45 54.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 12.8 mt -85.34 149.06 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.58 139.91 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.45 141.22 26.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.21 133.88 3.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -3.56 12.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 59.3 mt -116.29 18.44 15.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 22.1 m 43.34 36.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.28 47.31 1.45 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.95 142.52 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.14 117.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -134.32 166.13 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' N ' HD21 ' A' ' 30' ' ' LEU . 70.0 m-70 -72.77 135.47 45.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.9 p -41.03 -39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.72 -39.92 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -70.9 -34.67 71.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -34.67 -61.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -42.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 45' ' ' LYS . 50.7 mm-40 -79.05 -43.85 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 34.2 t60 -51.5 -47.42 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -44.95 -43.18 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.6 mt -50.2 -41.5 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' CYS . 4.6 mp -85.79 -51.4 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LEU . 45.3 t -33.06 126.3 0.4 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 m-85 -46.31 -41.43 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 1.8 tm-20 -34.16 128.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -58.81 115.34 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG23 ' CA ' ' A' ' 73' ' ' ARG . 27.3 m -129.72 143.2 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.96 69.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' SER . 52.9 t -44.05 131.03 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -39.76 -36.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -94.18 42.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' CYS . 62.5 p -58.32 -29.08 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.26 -46.08 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -55.64 -42.35 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.1 45.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.15 108.57 27.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.02 6.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 73.4 m-85 -78.7 146.8 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -144.3 133.81 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.88 178.75 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 149.67 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.474 ' CA ' HG23 ' A' ' 58' ' ' VAL . 10.3 tpt180 -56.31 -29.5 61.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -85.89 -31.82 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -87.03 23.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.56 -34.47 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -59.99 -66.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' ALA . 12.4 pt-20 -36.29 -35.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 38.6 t60 -83.42 -42.54 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ALA . 27.7 mt -55.74 -33.26 64.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.58 -47.87 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.41 ' O ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -104.84 23.37 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -89.56 138.57 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.97 10.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 40.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.807 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 32.4 m170 -118.52 114.56 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -46.42 -57.83 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 23.6 t60 -52.48 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.3 m -48.78 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 12' ' ' ASN . 10.5 m -48.15 -24.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.407 ' N ' HG21 ' A' ' 11' ' ' VAL . 26.1 m-20 -118.0 34.51 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -129.67 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.2 m -94.99 31.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -103.94 146.48 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -94.22 -47.74 6.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -85.0 27.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.63 128.57 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -128.05 52.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.72 146.45 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -61.51 120.38 55.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.7 Cg_endo -69.77 111.64 2.87 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mm-40 -101.71 162.5 20.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 8.13 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -158.24 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -49.12 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.6 p -129.49 169.14 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -132.29 178.91 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 1.3 m-20 -66.19 156.09 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 41' ' ' PHE . 10.6 mt -102.22 142.73 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.86 137.05 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.6 142.34 28.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 t -42.18 133.85 2.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.02 6.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 50.1 mt -118.6 19.75 13.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.3 m 43.31 36.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.87 -26.68 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.41 2.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.07 134.56 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.81 117.36 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -133.95 163.58 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.5 m-70 -67.26 127.24 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' HIS . 51.9 p -34.04 -43.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.8 p -62.02 -46.42 89.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' HIS . 11.6 mmmt -64.88 -35.04 79.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -34.46 -50.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -49.18 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.98 -50.76 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 48.5 t60 -45.6 -55.28 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -39.56 -41.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.77 -45.7 78.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.5 mt -80.06 -50.22 10.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.7 t -32.86 132.84 0.31 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.9 m-85 -43.83 -36.48 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' PHE . 9.4 tt0 -37.0 135.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -56.08 125.16 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -140.79 143.29 31.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.48 69.48 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' LEU . 12.0 t -54.8 131.85 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' CYS . 12.4 mt -37.78 -45.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -80.68 44.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.1 p -60.42 -44.62 95.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -43.61 -54.92 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -49.08 -42.77 39.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.94 49.35 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.2 t -91.84 109.32 36.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 40.2 m-85 -78.92 121.46 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.6 p -126.12 130.85 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 -175.53 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.01 152.75 36.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -66.99 -33.33 75.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.79 10.17 19.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -119.92 -22.46 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' ALA . 76.3 t -54.62 -47.11 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -34.6 -46.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.35 -49.01 59.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 37.3 t60 -56.01 -33.81 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.77 -34.46 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.99 -41.77 92.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -112.4 22.83 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -84.1 139.34 39.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.29 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.99 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.769 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 28.7 m170 -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -44.65 -34.88 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 39.3 t60 -78.79 -69.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 41.1 m -42.32 -53.95 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 21.8 m -41.91 -38.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -111.7 39.87 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.34 118.62 19.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.54 -9.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -71.23 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.34 -41.78 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -83.75 32.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.08 127.58 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mtt -124.13 55.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -100.64 131.5 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -49.1 120.17 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 114.31 3.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -102.16 162.6 19.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -159.51 -58.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -48.33 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 26.4 p -131.67 164.68 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.2 p -124.62 175.51 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.13 157.43 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 5.2 mt -103.38 151.57 22.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.62 138.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.4 139.87 22.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -43.16 133.62 3.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 9.9 mt -108.35 16.03 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 15.5 m 45.72 32.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.9 p -62.27 -28.56 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.39 46.91 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.19 128.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.61 117.15 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -133.62 169.38 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.1 m-70 -71.44 128.0 34.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' HIS . 26.3 p -34.95 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 p -74.68 -46.53 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' HIS . 41.4 mmtt -60.0 -25.73 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -45.61 -64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.5 p-10 -33.53 -37.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ALA . 54.0 mm-40 -85.5 -41.16 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 56.9 t60 -60.49 -50.38 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -46.05 -30.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.54 -37.94 77.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 16.7 mt -85.14 -53.52 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.9 t -32.19 129.28 0.32 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.35 6.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.89 -45.9 71.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' N ' HD12 ' A' ' 35' ' ' LEU . 5.0 tp10 -43.24 139.06 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -60.91 125.89 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 73' ' ' ARG . 32.6 m -135.74 145.98 55.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.731 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 146.83 60.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.09 131.39 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -39.22 -42.69 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -88.64 46.19 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -59.14 -42.54 90.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -47.68 -43.28 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.48 -40.44 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.33 49.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.78 110.28 48.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -69.94 145.03 52.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 p -146.89 129.12 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.15 -179.52 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.21 148.54 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.2 tpt180 -62.48 -32.85 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -85.8 10.51 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -122.56 -28.8 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' ALA . 54.9 t -45.73 -49.4 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -32.07 -66.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -46.04 -47.49 16.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -59.94 -47.95 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 mt -46.92 -35.93 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.29 -45.3 88.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -108.84 24.71 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.29 137.07 32.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -46.03 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.29 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 30.4 m170 -118.47 112.97 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -38.65 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 16.8 t60 -72.41 -68.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 m -44.58 -58.14 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 31.0 m -47.53 -24.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -122.81 35.47 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -123.77 125.04 44.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.72 30.28 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 t -104.01 123.47 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.77 36.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.02 132.42 49.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.8 mmm -128.97 54.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -98.1 126.51 43.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -41.92 116.43 1.67 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 109.63 2.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.5 mm-40 -103.18 158.32 32.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 10.2 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -152.46 -58.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.7 mp -54.33 -75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 2.1 p -134.04 168.82 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.1 p -124.69 -174.98 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.47 158.93 34.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 41' ' ' PHE . 9.1 mt -100.4 148.73 24.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.48 141.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.53 143.55 30.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 48.8 t -50.02 134.46 22.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.2 18.01 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 68.0 mt -107.94 14.49 25.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.2 m 44.81 34.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 p -65.21 -24.87 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.27 54.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.16 137.13 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -107.4 116.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.761 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -133.95 159.99 39.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' LYS . 83.7 m-70 -62.13 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' HIS . 82.3 p -35.56 -40.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.7 p -66.02 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.1 mmmp? -61.37 -35.98 78.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -33.57 -51.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.72 -51.27 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.59 -47.83 37.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 30.9 t60 -46.66 -55.39 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 72.0 mtt180 -35.81 -45.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.23 -45.15 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . 5.0 mt -79.76 -42.87 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.3 t -34.01 127.69 0.45 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -15.48 37.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.4 m-85 -85.77 -44.07 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 55' ' ' PHE . 7.3 tp10 -35.03 133.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.44 125.88 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 15.9 m -142.3 146.74 40.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.5 62.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.5 t -39.9 137.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.51 -43.77 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -93.39 39.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -59.37 -44.96 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.91 -47.62 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -51.52 -39.8 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.71 35.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.05 111.48 50.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.89 28.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -45.9 150.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -151.8 132.06 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.67 -177.63 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -66.22 142.43 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 32.0 mtp85 -49.15 -20.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -98.1 -23.23 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' ALA . 18.6 mmtp -84.21 -32.41 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -43.25 -24.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.37 -68.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.94 -30.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -78.61 -45.72 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.2 mt -45.06 -37.46 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.11 -44.28 91.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -103.61 19.78 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.2 t -88.69 129.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.14 5.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.6 63.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 18.5 m170 -96.28 108.82 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.5 m -40.23 -43.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 27.9 t60 -68.76 -66.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 m -44.26 -55.61 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 12' ' ' ASN . 22.0 m -44.76 -27.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' HG22 ' A' ' 11' ' ' VAL . 5.4 m-80 -121.01 38.28 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.96 109.99 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.59 -26.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -48.87 150.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -92.92 -46.22 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.83 38.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 104.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 mtt -100.77 40.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 m -80.82 128.43 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -47.78 119.99 7.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 27' ' ' SER . 11.0 tp10 -102.15 140.01 20.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.72 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -29.76 3.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.74 -56.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 12.5 t -138.97 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 29.8 p -108.81 166.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.8 138.72 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.28 157.67 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.96 142.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.11 136.35 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.0 t -39.46 134.48 1.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.12 2.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -122.2 20.28 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m 41.32 36.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 3.8 p -64.53 -26.72 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 44.81 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.45 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -97.92 117.64 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.95 170.78 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.3 m-70 -74.88 133.53 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -40.06 -42.46 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 p -62.76 -39.8 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.2 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -36.09 -52.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -44.19 -51.91 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.62 -50.8 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 46.7 t60 -43.85 -55.82 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' HIS . 38.9 mtt180 -38.26 -45.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.45 -43.17 64.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' CYS . 11.8 mt -81.08 -52.36 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.6 t -32.76 131.65 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -31.79 19.88 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.408 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.532 ' CE1' ' HA ' ' A' ' 37' ' ' CYS . 10.9 m-85 -60.82 -37.4 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' PHE . 9.2 tt0 -38.13 131.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.65 124.15 19.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 16.2 m -134.61 146.97 61.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 145.11 56.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.0 t -46.77 131.3 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' CYS . 12.5 mt -35.75 -43.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.401 HD22 ' CD2' ' A' ' 80' ' ' LEU . 1.8 m-80 -94.21 44.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' CYS . 37.6 t -68.47 -30.9 69.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.2 -53.74 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -54.14 -41.12 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.18 54.61 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.4 110.63 44.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -91.61 120.43 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -127.2 132.97 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.22 179.48 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' ' CG ' ' A' ' 75' ' ' LYS . . . -60.99 156.89 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HG2' ' CG1' ' A' ' 58' ' ' VAL . 7.9 mmt85 -63.62 -36.39 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -83.29 7.32 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CG ' ' HB1' ' A' ' 72' ' ' ALA . 21.0 mmmt -115.35 -33.43 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 77' ' ' ALA . 13.3 m -48.8 -21.97 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 76' ' ' VAL . . . -62.76 -37.21 85.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.047 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.62 -46.36 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.52 -36.6 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' CD2' HD22 ' A' ' 62' ' ' ASN . 19.3 mt -54.69 -36.81 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.53 -46.95 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -105.76 24.39 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.87 129.95 52.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -36.6 10.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.45 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 43.6 m170 -71.45 119.6 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.08 -32.66 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 24.5 t60 -75.17 -67.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 63.6 m -45.45 -55.99 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 31.2 m -46.88 -32.27 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.12 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -126.32 110.42 13.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' SER . 27.3 m -99.28 -40.47 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.1 m -44.97 123.49 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -73.55 -42.63 61.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -82.23 39.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.53 134.86 45.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 mtt -130.08 46.3 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -85.52 138.14 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -53.52 120.83 23.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 105.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.3 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.0 mm-40 -98.16 162.34 22.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.7 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 -59.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' SER . 1.7 mp -48.96 -75.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 22.6 p -128.8 165.93 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.2 p -126.5 171.56 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.2 138.68 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 41' ' ' PHE . 8.7 mt -86.32 146.94 26.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.21 138.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.18 139.86 23.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.78 133.89 1.04 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 86.5 mt -111.45 20.03 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 21.6 m 43.5 36.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -28.0 69.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 41.68 2.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.47 134.33 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.24 116.86 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 3.3 p90 -134.5 153.33 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' LYS . 79.5 m-70 -59.36 132.43 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 86.3 p -37.93 -42.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.67 -40.1 92.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 32.6 mmtt -66.24 -33.18 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -39.19 -63.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -33.89 -40.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.36 -49.02 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 67.9 t60 -50.27 -53.02 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -42.45 -37.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.59 -47.64 84.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.4 mt -78.78 -54.02 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.9 t -29.65 129.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.3 m-85 -42.71 -29.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.01 136.02 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.73 126.72 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.95 144.19 42.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 144.96 55.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 t -44.77 130.29 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.19 -38.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -87.13 39.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -58.34 -41.92 85.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -41.86 13.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.67 -37.32 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.52 32.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.6 t -80.32 112.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -24.63 29.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -49.01 139.61 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -144.25 124.68 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.65 -178.26 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 169.65 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -78.75 -36.13 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.58 6.93 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -123.0 -28.08 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.35 -26.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.6 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.33 -34.82 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' CYS . 14.7 t60 -69.44 -37.3 77.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.02 -30.78 68.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.0 -36.61 84.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.4 ' SD ' ' C ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -105.96 -3.66 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' HIS . 29.0 t -62.86 135.85 96.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -43.5 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.81 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.81 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 33.4 m170 -118.72 122.87 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.477 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 1.3 t -44.21 -46.94 9.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 35.9 t60 -65.46 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 58.6 m -44.63 -56.63 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 8' ' ' SER . 16.1 m -47.28 -25.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 11' ' ' VAL . 84.0 m-20 -121.79 35.64 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.02 102.63 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -104.45 29.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -104.17 154.39 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -97.2 -53.82 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.58 29.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.57 117.89 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.5 mtt -115.79 59.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 m -101.67 143.91 31.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 9.2 ttm105 -59.11 121.1 52.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.69 2.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.14 161.85 24.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.58 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.81 -57.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -46.74 -66.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 4.9 p -139.61 164.61 29.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.7 p -123.92 173.86 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.76 157.07 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 42' ' ' HIS . 8.1 mt -103.15 141.26 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.31 155.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.13 138.93 14.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -39.67 133.7 1.33 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.15 6.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.3 mt -118.98 17.61 13.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.7 m 45.13 35.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -62.93 -27.33 69.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.13 48.87 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.7 134.98 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.7 t -106.31 117.42 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -133.8 167.46 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' LYS . 55.1 m-70 -70.39 129.62 39.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' HIS . 53.8 p -35.05 -40.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.9 p -67.3 -45.49 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' HIS . 25.4 mmtt -62.04 -33.01 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.74 -55.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -40.76 -51.78 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.1 -53.16 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.629 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t60 -42.39 -56.06 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -40.78 -37.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.45 -44.28 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.4 mt -81.24 -51.36 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.9 t -32.65 130.09 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -36.78 10.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -56.36 -32.26 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -42.71 127.55 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -62.38 113.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.1 146.42 46.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.63 57.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.2 t -44.84 122.14 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' CYS . 6.1 mt -33.38 -40.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.78 44.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' CYS . 24.9 p -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -48.67 -40.87 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.61 41.91 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -93.16 109.23 38.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.26 28.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 20.9 m-85 -57.23 136.35 56.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 p -138.46 132.54 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.83 176.01 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.29 149.85 49.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -54.58 -38.5 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.12 10.3 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -123.01 -27.75 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -43.62 -46.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.85 -63.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -45.25 -47.21 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.0 t60 -59.8 -50.1 75.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.7 mt -44.89 -34.82 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.83 -47.17 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.4 ptm -109.18 26.92 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.19 132.32 41.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.53 2.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.04 -30.68 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.77 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.444 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -122.32 112.49 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 35.3 t -34.73 -44.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 31.4 t60 -69.87 -68.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 m -43.93 -55.21 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 12' ' ' ASN . 16.2 m -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' SER . 23.4 p30 -120.46 36.53 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -128.49 121.91 29.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.69 -25.25 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -54.89 123.9 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 18.7 ttp-105 -65.97 -56.62 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -79.66 43.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 117.9 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.9 ptp -109.65 41.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -87.84 136.67 32.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 21.5 ttm105 -58.42 119.76 38.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.07 6.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.4 mm-40 -104.3 162.77 18.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 14.4 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.91 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 1.9 mp -53.43 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 43.6 t -129.67 157.75 41.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -122.41 172.48 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.12 150.9 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 41' ' ' PHE . 9.5 mt -95.61 141.09 29.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.51 139.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.08 144.76 30.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -45.82 133.88 6.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.03 15.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 52.0 mt -111.47 17.76 19.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.9 m 44.89 34.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 p -62.21 -25.91 68.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.05 46.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.45 140.66 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.03 117.19 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 49' ' ' HIS . 3.0 p90 -134.4 155.02 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.4 m-70 -57.98 133.77 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.3 p -40.13 -42.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p -66.61 -36.75 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.9 mmtm -71.53 -36.01 70.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -33.21 -65.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -37.13 -48.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.83 -56.4 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 17.8 t60 -41.68 -55.48 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' HIS . 56.4 mtp180 -35.91 -44.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.91 -51.45 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' CYS . 2.8 mp -77.09 -42.54 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LEU . 48.7 t -33.76 129.54 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.29 37.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.3 m-85 -82.74 -49.06 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PHE . 8.7 tp10 -34.53 140.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -59.32 126.36 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG23 ' CD ' ' A' ' 73' ' ' ARG . 22.0 m -136.2 142.34 39.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 147.06 61.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.5 t -45.97 130.88 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.84 -40.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -88.69 42.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -61.85 -18.03 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.53 -41.71 68.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -60.33 -37.37 80.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.27 47.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.436 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.0 t -97.56 109.44 50.47 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.42 32.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -62.07 136.64 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 p -140.74 131.11 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.25 178.87 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB1' ' CG ' ' A' ' 75' ' ' LYS . . . -58.19 151.22 19.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CD ' HG23 ' A' ' 58' ' ' VAL . 14.0 tpt180 -60.69 -38.56 85.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 5.15 14.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CG ' ' HB1' ' A' ' 72' ' ' ALA . 39.6 mmtm -113.14 -22.63 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.17 -24.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.13 88.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.49 -46.54 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -61.97 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.6 mt -43.82 -40.79 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.34 -42.6 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.85 18.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.54 137.52 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.74 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.97 -31.15 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 18.7 m170 -97.35 133.22 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 52.1 m -44.17 -33.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 20.1 t60 -86.93 -68.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 38.4 m -40.36 -42.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 23.9 m -42.17 -42.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.42 40.13 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.75 121.29 36.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.65 -40.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -48.76 134.12 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -76.05 -43.17 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -82.1 41.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -66.9 115.57 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.1 ptp -106.44 45.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -90.83 135.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 -58.31 120.39 43.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 108.67 2.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.6 mm-40 -94.97 164.75 18.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.656 0.741 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 7.8 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -167.5 -53.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 1.9 mp -50.26 -62.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLU . 38.6 t -135.31 159.07 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.5 p -124.93 171.25 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.15 159.59 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 7.5 mt -102.1 147.46 26.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.64 156.54 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.65 142.96 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 49.3 t -47.03 135.23 8.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.56 8.71 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 81.6 mt -117.34 19.28 14.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 28.9 m 42.44 37.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.34 -19.65 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.48 51.72 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.61 120.2 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.24 116.93 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 p90 -134.19 169.75 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -70.81 140.2 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -50.68 -37.7 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.17 -35.5 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.4 mmtt -73.99 -34.55 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.58 -34.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.4 -45.1 95.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LYS . 9.1 pt-20 -83.35 -37.81 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 43.4 t60 -56.46 -53.31 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -38.66 -35.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.43 -50.83 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' CYS . 6.3 mt -74.76 -46.44 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.4 t -31.56 126.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.96 23.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.2 m-85 -66.73 -39.86 88.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PHE . 5.9 tp10 -37.44 140.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -66.82 126.25 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG22 ' CA ' ' A' ' 73' ' ' ARG . 4.8 m -141.04 146.42 43.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.1 Cg_endo -69.72 145.1 56.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' PRO . 53.4 t -35.94 134.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.6 mt -44.93 -37.07 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -95.96 43.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.7 p -56.57 -45.01 81.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -47.38 -46.25 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.05 -43.51 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.33 50.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.3 111.03 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.88 31.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.9 m-85 -57.05 132.38 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 p -134.59 127.41 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -176.51 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 145.55 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' CA ' HG22 ' A' ' 58' ' ' VAL . 21.7 ttt180 -56.71 -20.28 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -92.79 -30.43 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -76.83 -23.83 52.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -42.7 -33.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.15 -41.37 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.7 t60 -68.61 -42.0 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.02 -32.46 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.22 -43.7 92.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ptp -112.47 25.11 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.0 t -85.87 134.76 38.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -38.79 7.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.64 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.785 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.876 0.37 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 34.6 m170 -83.95 134.9 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 40.6 t -59.92 -67.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' CYS . 8.9 t60 -44.58 -49.01 10.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' CYS . 71.2 m -55.57 -64.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 8' ' ' SER . 29.8 m -47.97 -19.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -106.72 -16.46 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' HIS . 53.7 t -83.29 120.5 25.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.88 -39.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -46.09 161.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 25.0 ttm105 -100.99 -44.36 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.75 42.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.43 129.3 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -128.24 42.71 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -83.73 142.93 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.62 121.12 46.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.56 2.59 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -98.45 162.08 23.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.713 0.768 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 11.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -164.82 -55.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 2.9 mp -53.49 -73.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.536 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 41.0 t -122.18 163.31 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 12.0 p -132.83 167.31 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.73 148.07 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 41' ' ' PHE . 6.7 mt -97.74 148.84 22.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.05 139.21 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' CYS . . . -78.68 137.39 19.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 5.8 t -35.91 134.16 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.88 19.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 2.9 mp -112.05 21.23 16.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.6 m 42.18 37.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -63.57 -27.73 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.18 40.88 2.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.42 131.57 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' CG ' ' A' ' 16' ' ' ARG . 94.1 t -103.45 117.39 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.02 158.58 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' LYS . 61.2 m-70 -61.51 128.61 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 88.1 p -36.62 -39.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.0 p -69.23 -44.41 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 13.0 mmmt -64.91 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -39.86 -62.85 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 m-20 -37.39 -34.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -88.31 -39.29 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 52.7 t60 -58.52 -51.72 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -42.72 -39.72 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.1 -42.21 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt -85.06 -50.99 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.7 t -32.83 130.32 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -64.24 -37.13 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -44.06 139.19 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -64.74 124.77 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 23.2 m -135.72 148.27 64.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.53 57.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' SER . 17.3 t -46.2 132.0 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' CYS . 12.7 mt -36.33 -52.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -83.54 38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' CYS . 41.9 t -58.03 -42.48 85.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -42.95 -44.64 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -55.15 -37.11 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 39.38 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.26 109.11 35.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -13.68 34.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -61.29 135.84 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 p -139.55 131.81 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 -177.49 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 145.93 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' A' ' 58' ' ' VAL . 38.2 mtt-85 -53.64 -45.66 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.14 6.91 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -120.04 -23.8 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.8 t -48.32 -46.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.07 -66.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -41.06 -44.14 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.94 -50.38 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -41.28 -35.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.7 -46.42 84.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -103.38 22.13 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 t -88.8 133.64 35.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.66 -29.87 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.4 m170 -119.31 112.44 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.507 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 26.5 t -37.5 -43.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 26.0 t60 -69.9 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.4 m -44.88 -54.57 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 12' ' ' ASN . 15.1 m -46.79 -26.57 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' SER . 22.5 p30 -120.0 36.31 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.2 t -125.86 137.22 53.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.46 -32.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -47.4 121.96 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -63.21 -50.81 68.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.46 41.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 104.25 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.32 45.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -90.78 121.97 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -42.58 120.03 2.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' SER . 9.8 tp10 -99.95 140.79 21.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 53.7 Cg_endo -69.78 88.95 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.78 -36.25 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -92.49 -56.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.517 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 16.8 p -143.85 139.53 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.5 p -102.09 166.86 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.2 145.44 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 42' ' ' HIS . 7.7 mt -78.81 143.35 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 2.9 pp -137.0 130.84 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.12 147.51 47.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.4 t -54.72 134.44 64.94 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.6 mt -111.87 18.15 19.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m 42.07 35.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.075 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 55' ' ' PHE . 1.2 p -65.04 -23.83 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 50.29 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.13 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.45 116.57 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.679 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -134.38 166.22 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' LYS . 51.3 m-70 -71.28 131.95 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' HIS . 64.3 p -33.87 -43.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.3 p -70.78 -46.24 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' HIS . 54.1 mmtt -58.86 -37.2 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -33.62 -45.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.048 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.44 -49.69 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 4.8 pt-20 -74.98 -31.34 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 39.9 t60 -58.66 -53.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 56' ' ' GLU . 71.2 mtt180 -37.61 -49.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -40.01 -48.42 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.8 mp -86.74 -38.81 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -33.07 116.33 0.43 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 37' ' ' CYS . 3.6 m-85 -103.05 -48.31 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 1.6 pt-20 -34.91 146.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -65.76 128.74 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.435 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 17.0 m -141.92 148.99 51.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 146.5 60.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 t -48.65 132.77 17.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -40.14 -44.22 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -82.88 40.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.6 p -59.32 -45.73 90.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -47.78 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -54.66 -35.07 63.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.98 45.66 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.65 109.38 43.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.48 26.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 56.4 m-85 -68.51 138.85 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 p -141.02 134.91 30.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.09 -175.24 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.83 144.69 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 58' ' ' VAL . 7.3 mmt85 -51.23 -27.59 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.94 -14.74 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -99.59 10.51 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.52 -30.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -62.97 -64.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -41.49 -34.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 8.0 t60 -81.2 -37.08 29.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 mt -50.53 -44.66 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.22 -45.17 61.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -91.51 -12.01 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' HIS . 44.2 t -61.11 123.96 78.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -37.38 9.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.95 -27.01 50.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.742 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 25' ' ' GLY . 20.3 m170 -115.62 134.03 55.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.9 m -55.35 -31.33 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -84.73 -69.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 50.1 m -41.24 -47.22 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 10.3 m -41.94 -42.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -111.54 40.26 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -126.79 125.05 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -130.05 27.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -99.07 124.67 44.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -63.44 -53.32 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -91.33 32.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 t -39.08 104.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.95 44.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 m -101.65 130.45 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -53.92 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 105.92 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 mm-40 -88.81 162.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 12.32 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -162.07 -53.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -59.77 -77.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' GLU . 33.4 t -108.96 151.79 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.9 p -125.85 169.64 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.19 159.42 14.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.88 151.28 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 2.8 pp -147.97 127.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.37 140.53 37.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -38.76 133.92 1.03 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.54 3.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 74.9 mt -120.99 17.92 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.2 m 45.19 35.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 p -63.26 -26.13 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 50.94 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 134.09 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.47 116.81 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -134.58 157.34 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' LYS . 52.4 m-70 -59.96 130.8 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.463 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 74.2 p -34.44 -42.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 18.2 p -66.24 -46.58 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' HIS . 37.7 mmtt -56.55 -40.44 75.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -34.5 -59.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ALA . 33.0 t0 -36.73 -50.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -77.12 -53.0 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 44.8 t60 -40.42 -50.21 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -44.93 -39.74 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -53.99 -47.06 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.9 mp -80.92 -53.31 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.6 t -30.81 130.11 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -44.52 -40.5 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -42.95 135.88 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' HG13 ' A' ' 58' ' ' VAL . 37.1 ttp180 -58.56 128.41 37.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG11 ' CZ ' ' A' ' 73' ' ' ARG . 14.6 m -143.79 143.52 23.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.88 61.7 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 40.9 t -43.78 138.7 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.14 -37.7 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' ND2' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p30 -94.58 33.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -60.72 -38.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -26.9 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.22 -37.75 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.72 37.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.23 112.65 58.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.74 26.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' CE1' ' A' ' 79' ' ' HIS . 50.1 m-85 -46.76 134.31 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -139.05 128.34 24.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -177.63 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.42 152.37 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 23.9 ttm105 -63.44 -35.88 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -86.13 9.55 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -121.23 -21.08 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.2 t -48.72 -45.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.86 -64.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -40.0 -29.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' CYS . 17.1 t60 -89.79 -38.91 13.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ALA . 36.3 mt -48.42 -49.1 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.09 -32.9 49.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.2 ptm -110.72 12.47 22.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.4 t -80.39 135.55 53.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.755 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 13.6 m170 -118.57 129.12 55.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 33.8 m -46.49 -36.46 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' A' ' 27' ' ' SER . 45.6 t60 -82.69 -69.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 28.7 m -41.38 -48.01 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 18.1 m -41.84 -41.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -109.9 39.81 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -130.27 128.75 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.06 -43.43 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -44.81 125.29 4.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -72.77 -28.72 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 14.0 mmt180 -89.76 36.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -72.1 135.3 46.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.8 mtm -133.99 58.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.9 m -101.44 133.29 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.61 119.89 12.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.733 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 123.06 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 2.1 mm-40 -120.18 155.45 55.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.21 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.13 -38.72 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -80.4 -75.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 9' ' ' HIS . 3.1 m -122.63 164.78 17.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.8 p -137.5 156.79 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.54 148.36 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 8.7 mt -95.14 142.82 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 2.8 pp -135.76 138.83 47.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.82 140.84 24.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 t -40.15 133.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.72 7.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 80.6 mt -115.88 18.24 15.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 22.7 m 44.8 35.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.75 -24.1 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.04 53.73 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.26 129.78 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.17 117.4 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.15 169.37 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 63.4 m-70 -70.41 126.27 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.449 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 84.2 p -34.59 -40.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 16.6 p -66.78 -46.39 75.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.1 mmtt -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -37.25 -55.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -42.41 -44.32 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -79.34 -48.41 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 31.8 t60 -46.15 -55.03 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -39.61 -42.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -54.66 -41.53 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.5 mt -82.84 -47.59 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.5 t -33.87 129.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -25.46 28.81 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.21 -33.73 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -41.5 127.28 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -58.15 122.77 13.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.5 m -139.49 148.69 57.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.73 63.58 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 t -46.21 131.28 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' CYS . 19.1 mt -35.67 -48.79 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -84.17 49.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.5 p -67.77 -44.61 77.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -33.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.74 -39.69 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.99 36.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.7 110.78 30.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.591 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 46.2 m-85 -75.03 132.46 41.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -136.35 127.34 27.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.89 -178.5 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 160.51 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -69.16 -21.6 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -94.85 -16.95 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -90.06 -16.37 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.48 -28.31 22.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.61 -58.0 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.76 -25.06 6.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 16.2 t60 -92.91 -31.1 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.26 -39.84 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.58 -24.71 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 ptp -119.86 15.99 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' HIS . 3.4 t -84.54 139.63 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.96 -23.21 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 13.8 pt20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.8 m170 -121.98 107.99 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.3 t -32.5 -48.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' OG ' ' A' ' 27' ' ' SER . 50.8 t60 -65.79 -67.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 m -44.18 -56.48 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 8' ' ' SER . 22.6 m -46.19 -26.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.47 ' N ' HG21 ' A' ' 11' ' ' VAL . 67.5 m-20 -118.92 36.22 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 t -134.76 117.22 15.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.28 31.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.8 t -104.39 141.29 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -85.92 -39.03 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -93.79 27.22 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.486 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -58.02 126.16 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.9 mmm -122.47 53.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.59 146.05 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -65.89 120.37 68.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 122.28 8.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 mm-40 -120.21 154.25 55.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 78.66 0.98 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.4 -36.32 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 26' ' ' ILE . 3.1 mp -83.28 -71.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.464 ' OG ' ' CB ' ' A' ' 9' ' ' HIS . 3.5 m -126.71 164.69 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.9 p -136.36 160.0 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.78 157.71 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 9.0 mt -104.32 143.87 32.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.42 142.97 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.45 139.39 20.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -39.84 133.83 1.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -8.76 24.42 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 69.7 mt -109.7 18.44 20.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 19.1 m 44.01 35.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -25.29 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 48.99 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.75 130.06 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.04 116.76 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.8 p90 -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' LYS . 70.3 m-70 -59.74 133.07 55.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.6 p -37.18 -43.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.7 p -69.18 -39.64 78.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 mmtt -67.54 -19.27 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -55.64 -39.98 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -60.38 -33.16 72.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' OE2' ' CD ' ' A' ' 45' ' ' LYS . 4.3 pt-20 -91.01 -27.17 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.544 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.3 t60 -66.63 -48.69 68.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -44.35 -29.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.58 -49.93 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.2 mp -82.47 -44.56 15.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 50.1 t -33.73 123.98 0.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -47.39 -37.73 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -41.13 138.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -64.14 125.19 23.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 73' ' ' ARG . 13.4 m -142.86 145.18 32.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.87 61.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.0 t -40.54 130.92 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -38.59 -43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -93.65 40.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.4 t -59.73 -47.07 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -41.76 -46.68 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -53.28 -41.81 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.17 48.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -108.42 110.74 61.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -15.77 37.34 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.613 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.6 m-85 -54.01 132.26 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -136.53 128.91 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.95 177.05 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.464 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -57.88 134.52 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 15.1 ttm105 -39.46 -33.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 72' ' ' ALA . 9.4 p30 -78.35 -42.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -60.24 -31.58 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -42.54 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.7 -38.64 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.613 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 26.6 t60 -67.4 -49.96 61.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 mt -46.12 -37.35 6.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.07 -42.67 73.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -113.33 23.27 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.9 t -82.33 133.3 50.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.42 2.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.72 -31.84 64.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 49.1 m170 -105.34 114.89 29.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -55.57 -56.87 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 33.0 t60 -48.48 -62.63 1.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -59.72 -34.13 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.57 -27.65 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -130.36 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -112.3 91.49 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.22 29.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.8 t -104.4 129.02 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -76.18 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -81.19 40.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.84 131.51 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -126.55 39.55 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 21' ' ' ARG . 44.2 m -83.93 140.1 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' N ' HG23 ' A' ' 20' ' ' THR . 23.2 ttp180 -54.62 119.28 20.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 25' ' ' GLY . 2.5 mm-40 -80.63 165.26 47.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.85 10.25 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.622 2.215 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.3 -56.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mp -48.57 -62.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.527 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 40.7 t -124.44 173.45 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 11.3 p -147.02 168.57 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.25 141.81 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.8 mt -88.95 140.89 28.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.38 144.66 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.07 142.61 23.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.9 t -43.65 134.23 3.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.2 mt -110.49 19.59 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m 41.65 36.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -63.73 -26.98 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.89 49.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.7 136.81 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.57 117.47 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -132.84 158.2 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' LYS . 49.6 m-70 -62.46 133.85 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.818 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -38.25 -39.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.78 -41.0 88.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.8 mmtm -66.17 -41.01 90.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -32.19 -59.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.4 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 16.5 mt-10 -81.72 -52.07 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.695 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 33.7 t60 -39.41 -53.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -38.36 -42.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.74 -52.66 55.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.8 mp -75.02 -46.81 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.0 t -32.54 131.32 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.61 2.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.28 -41.86 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.13 139.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.48 127.28 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 22.8 m -139.5 146.14 46.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.06 58.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.4 t -44.41 138.34 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -42.15 -46.38 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -91.19 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 t -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -38.57 -53.8 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -49.77 -42.72 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.76 53.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.9 t -101.03 109.13 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.8 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 53.1 m-85 -78.36 128.25 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 p -133.66 131.91 40.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.27 177.67 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 147.51 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' A' ' 58' ' ' VAL . 8.1 mmt85 -58.24 -39.69 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -78.2 10.12 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -123.87 -30.2 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -41.33 -44.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.55 -40.98 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.2 t60 -64.53 -48.34 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -45.89 -35.24 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.66 -47.16 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -108.83 25.37 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.19 137.47 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -48.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.49 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 35.0 m170 -114.76 112.86 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 18.3 t -43.94 -34.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 47.8 t60 -77.8 -70.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -42.64 -54.23 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 20.8 m -43.58 -33.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.5 p30 -116.05 38.59 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.1 t -131.05 126.2 35.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.6 -39.35 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -44.7 122.33 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -72.71 -25.58 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -94.83 32.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 122.09 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -116.93 40.3 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.1 m -81.08 149.06 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -66.89 120.79 74.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 106.63 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -96.13 159.35 32.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 10.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -158.63 -56.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.5 mp -54.35 -77.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 9' ' ' HIS . 23.1 t -120.57 159.29 25.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.8 p -121.57 171.2 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.76 147.65 49.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 41' ' ' PHE . 10.6 mt -94.02 143.6 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.34 150.12 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.51 143.16 17.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 t -40.68 133.98 1.67 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.66 5.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.617 2.211 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.0 mt -117.54 19.69 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 24.0 m 44.36 36.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.96 -25.43 68.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.39 49.32 1.57 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.8 136.09 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.76 117.38 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 p90 -133.91 162.1 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 76.0 m-70 -63.82 129.2 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 70.6 p -34.08 -44.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 21.6 p -65.82 -46.56 78.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' HIS . 15.1 mmtp -56.85 -39.5 74.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -33.13 -60.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ALA . 5.9 m-20 -35.89 -49.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -77.73 -49.82 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 47.3 t60 -43.34 -56.51 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -37.83 -44.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.67 -51.42 38.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.2 mp -77.59 -48.73 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' LEU . 54.1 t -32.59 131.42 0.32 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 -34.23 14.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.65 -40.18 94.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.51 135.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -64.99 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 12.2 m -132.26 146.52 61.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.453 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 14.8 t -42.8 136.3 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.35 -45.13 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' ND2' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p30 -88.19 35.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.1 t -58.62 -46.06 87.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -43.09 -39.13 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.78 -38.32 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.59 36.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.8 t -93.21 111.03 50.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -18.04 37.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 52.5 m-85 -53.42 129.59 32.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -135.6 128.51 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.25 177.79 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 147.08 53.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG2' ' CG2' ' A' ' 58' ' ' VAL . 8.0 mmm180 -53.84 -40.03 66.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -78.79 9.65 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.6 mmmp? -122.99 -32.14 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' LYS . 15.6 t -36.07 -51.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.76 -65.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -38.66 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.581 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 12.8 t60 -90.21 -36.19 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 15.5 mt -49.58 -49.66 45.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.48 -35.53 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ptm -107.54 13.63 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.9 t -79.37 135.24 57.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.81 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.79 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.488 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 23.1 m170 -118.52 123.68 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -48.73 -33.47 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 29.5 t60 -80.22 -68.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.6 m -42.2 -52.77 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 17.2 m -43.29 -41.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -107.14 37.77 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -129.12 134.59 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.3 -39.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -44.7 132.27 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.68 -41.08 46.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.89 43.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.03 107.33 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.9 mtm -103.44 43.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ARG . 58.3 m -83.14 119.53 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 57.7 ttp85 -37.59 117.72 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG2' HD13 ' A' ' 26' ' ' ILE . 1.7 tt0 -102.69 141.07 21.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.36 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.36 -36.19 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.3 mp -93.54 -58.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.6 p -143.27 148.25 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.5 p -110.61 164.4 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.8 155.26 27.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD21 ' C ' ' A' ' 41' ' ' PHE . 14.0 mt -91.4 144.23 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 2.8 pp -139.46 136.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.84 142.59 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 t -45.83 134.3 6.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -4.99 15.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 50.4 mt -111.05 16.19 21.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.1 m 43.88 33.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -62.63 -27.54 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.94 49.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.98 141.65 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -111.77 116.69 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 3.2 p90 -134.42 161.62 34.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -63.05 133.82 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 p -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 10.6 p -68.64 -46.58 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 37.7 mmtt -56.31 -34.23 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -40.54 -64.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' ALA . 65.8 m-20 -34.12 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -89.26 -47.95 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 14.2 t60 -52.89 -52.32 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.6 ptm180 -38.46 -41.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 58.8 mt -56.55 -42.51 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.7 mt -82.45 -43.09 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -31.02 128.17 0.28 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.16 37.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.94 -42.19 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -39.01 135.39 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -62.58 124.05 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 15.0 m -133.23 145.6 57.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.4 t -42.69 135.82 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.3 -49.0 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -82.64 44.05 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -57.92 -44.47 86.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.65 -54.62 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -47.56 -43.67 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.35 39.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -83.17 110.88 26.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -4.58 14.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -72.16 130.49 40.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -135.39 131.1 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.14 177.63 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.35 160.01 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 67.6 mtp85 -71.84 -38.26 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -77.19 3.53 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -23.0 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.9 t -45.09 -44.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.39 -63.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -44.93 -45.21 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -61.65 -47.38 85.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.8 mt -46.91 -37.13 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.73 -41.76 78.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ptm -113.72 23.37 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.26 139.52 45.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -42.97 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.96 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.458 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 47.1 mt-30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.853 0.359 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 27.8 m170 -120.74 126.04 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -47.79 -35.86 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 42.4 t60 -79.68 -69.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 33.6 m -43.38 -52.12 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 34.6 m -44.15 -35.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -115.97 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -126.3 97.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -99.46 31.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -104.61 149.45 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -89.59 -60.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -81.94 40.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -60.3 122.99 15.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.47 47.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -91.65 132.81 36.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -51.29 119.17 12.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.37 1.65 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -93.16 163.89 23.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.66 1.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.04 -54.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mp -50.74 -69.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.526 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 39.8 t -127.54 159.3 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 13.4 p -124.79 167.87 14.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.34 150.28 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 11.1 mt -94.42 151.74 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.65 138.46 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.2 53.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.03 136.94 95.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -29.4 23.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.4 mt -91.32 14.89 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m 42.08 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -67.02 -24.97 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 56.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.76 146.54 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.23 118.44 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 p90 -131.79 162.82 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 74.6 m-70 -68.22 131.32 45.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 92.6 p -37.66 -37.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -68.42 -42.7 78.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' HIS . 27.1 mmtt -69.27 -28.9 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -35.48 -65.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.1 t0 -34.12 -51.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.37 -37.41 77.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.731 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 73.2 t60 -53.4 -38.3 63.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -55.83 -13.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.96 -21.15 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.2 mm? -102.4 -47.16 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 8.4 t -32.45 118.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.97 22.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.3 m-85 -88.37 -41.73 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -33.46 138.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 23.1 ttm180 -64.79 105.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 143.89 33.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 146.12 59.47 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' PRO . 28.1 t -35.56 137.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.55 -36.32 23.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -93.35 40.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 p -51.07 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -52.68 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -51.01 -42.61 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.28 46.03 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.69 109.68 31.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.48 3.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 55.0 m-85 -81.09 141.5 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -142.14 130.55 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.33 176.03 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.85 131.28 50.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -43.78 -24.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.58 -37.85 16.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -87.3 26.3 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.91 -36.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.32 -55.58 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -46.69 -26.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.44 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.4 t60 -92.69 -38.94 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.4 mt -51.77 -46.21 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 82' ' ' MET . 16.2 pt-20 -56.21 -39.58 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 15.5 ptp -106.21 18.3 22.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' HIS . 4.1 t -86.74 138.79 33.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.31 6.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.14 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -179.732 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -116.18 123.33 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 m -48.13 -34.74 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 53.0 t60 -78.82 -69.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 36.5 m -44.73 -53.99 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 33.2 m -44.31 -36.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.44 38.23 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -126.29 97.54 5.11 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -98.63 27.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -102.68 155.32 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -100.86 -53.54 3.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -83.97 32.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.63 134.83 56.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 mtm -127.93 57.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -97.2 132.48 42.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -49.09 119.99 9.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.5 Cg_endo -69.84 107.57 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.67 162.63 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 6.95 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.04 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.79 -68.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.56 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 13.8 p -137.95 164.43 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.2 p -125.49 175.28 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -63.82 159.57 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 13.9 mt -104.99 143.57 33.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 2.9 pp -142.67 138.28 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.23 148.71 42.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 24.5 t -53.04 134.23 49.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.18 17.99 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 13.6 mt -106.33 13.91 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 23.2 m 45.32 36.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.1 p -67.36 -23.54 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.14 55.99 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.8 135.06 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.51 117.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.755 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.16 149.38 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 74.8 m-70 -50.9 133.51 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.463 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 90.2 p -35.08 -45.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.6 p -64.37 -46.38 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 36.2 mmtt -63.83 -9.79 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -67.38 -16.42 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.56 -30.81 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.81 -30.97 14.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.755 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 16.3 t60 -62.22 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.16 -27.63 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.14 -47.07 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' CYS . 2.2 mp -85.23 -40.88 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 52.5 t -32.94 119.94 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.06 36.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.41 -23.54 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -53.59 131.3 38.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -58.81 119.89 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 19.2 m -133.71 147.4 64.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.24 64.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' SER . 3.7 t -49.36 131.17 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' CYS . 13.0 mt -34.72 -50.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' ND2' ' SG ' ' A' ' 60' ' ' CYS . 2.4 p30 -85.11 43.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' CYS . 28.7 t -65.62 -42.55 91.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.31 -43.04 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.19 -34.76 68.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.12 38.0 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.89 109.87 44.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.51 36.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 58.8 m-85 -57.22 125.85 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.7 p -134.73 127.46 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 -178.62 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.33 150.55 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 58' ' ' VAL . 23.7 mtp180 -57.85 -37.65 74.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -80.29 9.05 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -123.67 -25.71 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -43.98 -45.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.98 -66.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.75 -49.92 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.661 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 27.0 t60 -61.19 -49.65 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -46.71 -36.58 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.24 -35.57 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.8 18.92 14.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.64 129.59 64.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.17 29.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.791 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 9.5 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 28.2 m170 -122.47 124.03 42.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 25.0 p -44.31 -37.92 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 60.1 t60 -76.95 -69.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -41.45 -55.97 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 19.1 m -42.79 -36.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.8 p30 -115.14 39.95 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.42 118.79 27.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -110.09 -39.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -44.87 125.56 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -72.74 -50.13 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -81.02 41.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 126.41 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mmt -125.29 59.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 21' ' ' ARG . 27.2 m -100.78 139.8 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' THR . 0.3 OUTLIER -51.67 115.85 7.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.641 0.734 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.3 mm-40 -94.79 162.8 24.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 8.16 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.74 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.412 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -48.78 -70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.4 p -134.57 165.33 25.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.804 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.2 p -129.97 173.87 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.3 163.43 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 42' ' ' HIS . 7.2 mt -112.57 143.62 43.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 31' ' ' ILE . 2.8 pp -136.27 147.33 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.69 143.61 23.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.7 133.83 13.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.43 12.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 70.8 mt -114.17 17.32 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 18.5 m 43.94 35.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 1.6 p -65.53 -20.68 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.03 46.55 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.54 120.66 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t -94.0 116.66 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p90 -134.41 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.8 m-70 -63.12 128.87 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' HIS . 24.6 p -33.31 -44.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.4 p -65.47 -47.7 75.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.3 mmmp? -60.72 -28.59 68.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -45.53 -56.22 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 32.6 m-20 -44.93 -29.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 6.0 mp0 -93.88 -34.9 12.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.696 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 5.0 t60 -69.38 -17.24 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' HD23 ' A' ' 51' ' ' LEU . 6.4 ptm180 -77.96 -8.32 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD23 ' CG ' ' A' ' 50' ' ' ARG . 2.2 mm? -85.68 -30.64 23.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.9 mp -102.22 -35.58 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 53.9 t -33.63 131.7 0.38 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 5.9 m-85 -48.39 -39.87 23.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -38.79 138.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.462 ' N ' ' OE2' ' A' ' 56' ' ' GLU . 20.7 ttm105 -68.3 112.0 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' CG ' ' A' ' 73' ' ' ARG . 12.4 m -121.31 146.88 45.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.88 58.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.6 t -39.41 136.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.04 -34.12 12.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -94.47 33.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 p -46.12 -45.84 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.03 -50.56 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.31 -42.03 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.36 41.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -87.54 109.8 29.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.71 -9.19 25.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -67.36 130.86 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -132.0 133.46 44.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.82 173.2 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.91 146.52 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' CG ' HG23 ' A' ' 58' ' ' VAL . 55.4 mtt-85 -56.25 -43.7 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -76.89 7.85 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -121.53 -25.11 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 77' ' ' ALA . 67.7 t -53.29 -45.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -35.94 -46.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.91 -49.38 68.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -56.47 -36.94 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.31 -34.45 66.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.08 -36.94 85.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.7 20.53 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.2 t -94.08 134.87 25.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.6 0.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.51 -26.2 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.3 m -167.8 170.41 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 90.6 p -171.31 148.58 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 164.8 154.47 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.3 t -130.63 175.6 8.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 64.8 p -154.33 145.47 22.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 155.53 129.08 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mtt -143.04 117.85 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -95.6 136.28 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -169.26 130.78 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -136.65 147.23 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.0 mt -117.49 178.85 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -76.28 169.77 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.3 m170 -107.99 108.81 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 7' ' ' HIS . 40.6 t -37.11 -44.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 28.8 t60 -68.71 -66.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.3 m -44.51 -56.34 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 12' ' ' ASN . 21.4 m -46.88 -26.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' HG23 ' A' ' 11' ' ' VAL . 2.0 m-80 -119.98 36.02 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -128.55 100.48 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -86.91 -42.71 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.7 m -45.92 122.57 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -74.75 -36.54 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 5.0 ttt85 -86.44 32.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.491 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.34 135.7 57.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.2 mtt -129.94 48.76 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 128.16 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -43.55 120.5 3.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.56 1.52 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' SER . 12.3 tp10 -102.02 140.29 21.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.683 0.754 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.73 88.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.41 -29.44 3.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.14 -58.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.563 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 6.6 p -142.14 144.99 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.2 p -109.13 167.01 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 146.45 54.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 12.8 mt -85.34 149.06 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.58 139.91 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.45 141.22 26.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.21 133.88 3.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -3.56 12.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 59.3 mt -116.29 18.44 15.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 22.1 m 43.34 36.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.28 47.31 1.45 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.95 142.52 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.14 117.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -134.32 166.13 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' N ' HD21 ' A' ' 30' ' ' LEU . 70.0 m-70 -72.77 135.47 45.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.9 p -41.03 -39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.72 -39.92 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -70.9 -34.67 71.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -34.67 -61.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -42.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 45' ' ' LYS . 50.7 mm-40 -79.05 -43.85 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 34.2 t60 -51.5 -47.42 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -44.95 -43.18 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.6 mt -50.2 -41.5 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' CYS . 4.6 mp -85.79 -51.4 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LEU . 45.3 t -33.06 126.3 0.4 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 m-85 -46.31 -41.43 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 1.8 tm-20 -34.16 128.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -58.81 115.34 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG23 ' CA ' ' A' ' 73' ' ' ARG . 27.3 m -129.72 143.2 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.96 69.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' SER . 52.9 t -44.05 131.03 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -39.76 -36.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -94.18 42.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' CYS . 62.5 p -58.32 -29.08 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.26 -46.08 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -55.64 -42.35 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.1 45.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.15 108.57 27.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -0.02 6.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 73.4 m-85 -78.7 146.8 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -144.3 133.81 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.88 178.75 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 149.67 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.474 ' CA ' HG23 ' A' ' 58' ' ' VAL . 10.3 tpt180 -56.31 -29.5 61.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -85.89 -31.82 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -87.03 23.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.56 -34.47 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -59.99 -66.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' ALA . 12.4 pt-20 -36.29 -35.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 38.6 t60 -83.42 -42.54 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ALA . 27.7 mt -55.74 -33.26 64.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.58 -47.87 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.41 ' O ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -104.84 23.37 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -89.56 138.57 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.97 10.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 40.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' VAL . 21.4 t -123.37 -20.94 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 29.8 m 35.62 41.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.2 t -116.91 97.28 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.87 167.47 54.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.75 3.45 2.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 90' ' ' PRO . 15.7 t -33.1 114.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.0 t -136.42 128.0 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 28.5 t -128.73 125.91 38.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.879 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.1 t -125.56 -49.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 62.62 122.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.9 p -127.0 98.91 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.4 p -138.73 136.27 35.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -157.02 178.47 33.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt -170.21 124.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -138.29 109.77 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.16 160.27 22.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -98.46 133.69 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 6' ' ' GLN . 4.3 pp -65.2 -177.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' N ' HD12 ' A' ' 5' ' ' LEU . 16.7 pt20 -121.12 164.06 17.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 32.4 m170 -118.52 114.56 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -46.42 -57.83 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 23.6 t60 -52.48 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.3 m -48.78 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 12' ' ' ASN . 10.5 m -48.15 -24.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.407 ' N ' HG21 ' A' ' 11' ' ' VAL . 26.1 m-20 -118.0 34.51 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -129.67 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.2 m -94.99 31.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -103.94 146.48 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -94.22 -47.74 6.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -85.0 27.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.63 128.57 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -128.05 52.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.72 146.45 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -61.51 120.38 55.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.7 Cg_endo -69.77 111.64 2.87 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mm-40 -101.71 162.5 20.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 8.13 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -158.24 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -49.12 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.6 p -129.49 169.14 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -132.29 178.91 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 1.3 m-20 -66.19 156.09 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 41' ' ' PHE . 10.6 mt -102.22 142.73 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.86 137.05 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.6 142.34 28.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 t -42.18 133.85 2.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.02 6.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 50.1 mt -118.6 19.75 13.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.3 m 43.31 36.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.87 -26.68 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.41 2.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.07 134.56 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.81 117.36 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -133.95 163.58 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.5 m-70 -67.26 127.24 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' HIS . 51.9 p -34.04 -43.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.8 p -62.02 -46.42 89.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' HIS . 11.6 mmmt -64.88 -35.04 79.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -34.46 -50.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -49.18 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.98 -50.76 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 48.5 t60 -45.6 -55.28 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -39.56 -41.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.77 -45.7 78.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.5 mt -80.06 -50.22 10.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.7 t -32.86 132.84 0.31 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.9 m-85 -43.83 -36.48 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' PHE . 9.4 tt0 -37.0 135.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -56.08 125.16 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -140.79 143.29 31.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.48 69.48 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' LEU . 12.0 t -54.8 131.85 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' CYS . 12.4 mt -37.78 -45.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -80.68 44.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.1 p -60.42 -44.62 95.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -43.61 -54.92 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -49.08 -42.77 39.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.94 49.35 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.2 t -91.84 109.32 36.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 40.2 m-85 -78.92 121.46 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.6 p -126.12 130.85 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 -175.53 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.01 152.75 36.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -66.99 -33.33 75.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.79 10.17 19.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -119.92 -22.46 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' ALA . 76.3 t -54.62 -47.11 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -34.6 -46.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.35 -49.01 59.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 37.3 t60 -56.01 -33.81 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.77 -34.46 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.99 -41.77 92.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -112.4 22.83 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -84.1 139.34 39.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.29 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.99 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' VAL . 2.2 m -60.95 -18.25 56.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' SER . 35.1 m 33.09 42.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -123.25 103.47 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.44 139.73 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 99.89 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.8 t -58.49 140.94 53.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -122.3 107.84 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.6 p -173.6 168.37 4.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.3 t -168.56 163.91 12.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -177.13 136.87 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 57.7 m -152.6 168.32 26.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.7 t -170.05 160.42 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -167.71 86.12 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mtt -133.1 117.17 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -138.92 142.65 38.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.33 145.2 42.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.21 138.46 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.22 171.02 9.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -64.12 173.04 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 28.7 m170 -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -44.65 -34.88 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 39.3 t60 -78.79 -69.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 41.1 m -42.32 -53.95 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 21.8 m -41.91 -38.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -111.7 39.87 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.34 118.62 19.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.54 -9.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -71.23 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.34 -41.78 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -83.75 32.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.08 127.58 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mtt -124.13 55.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -100.64 131.5 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -49.1 120.17 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 114.31 3.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -102.16 162.6 19.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -159.51 -58.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -48.33 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 26.4 p -131.67 164.68 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.2 p -124.62 175.51 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.13 157.43 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 5.2 mt -103.38 151.57 22.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -146.62 138.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.4 139.87 22.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -43.16 133.62 3.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 9.9 mt -108.35 16.03 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 15.5 m 45.72 32.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.9 p -62.27 -28.56 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.39 46.91 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.19 128.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -102.61 117.15 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.677 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 0.8 OUTLIER -133.62 169.38 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.1 m-70 -71.44 128.0 34.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' HIS . 26.3 p -34.95 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 p -74.68 -46.53 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' HIS . 41.4 mmtt -60.0 -25.73 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -45.61 -64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.5 p-10 -33.53 -37.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ALA . 54.0 mm-40 -85.5 -41.16 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 56.9 t60 -60.49 -50.38 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -46.05 -30.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.54 -37.94 77.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 16.7 mt -85.14 -53.52 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.9 t -32.19 129.28 0.32 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.35 6.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.89 -45.9 71.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' N ' HD12 ' A' ' 35' ' ' LEU . 5.0 tp10 -43.24 139.06 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -60.91 125.89 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 73' ' ' ARG . 32.6 m -135.74 145.98 55.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.731 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 146.83 60.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.09 131.39 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -39.22 -42.69 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -88.64 46.19 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -59.14 -42.54 90.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -47.68 -43.28 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.48 -40.44 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.33 49.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.78 110.28 48.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -69.94 145.03 52.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 p -146.89 129.12 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.15 -179.52 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.21 148.54 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 58' ' ' VAL . 1.2 tpt180 -62.48 -32.85 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -85.8 10.51 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -122.56 -28.8 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' A' ' 77' ' ' ALA . 54.9 t -45.73 -49.4 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -32.07 -66.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -46.04 -47.49 16.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -59.94 -47.95 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.6 mt -46.92 -35.93 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.29 -45.3 88.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -108.84 24.71 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.29 137.07 32.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -46.03 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -22.29 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 87' ' ' VAL . 31.0 t -69.71 -15.78 63.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 86' ' ' SER . 34.0 m 31.8 47.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -152.04 112.95 4.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 161.86 16.3 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 90.43 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.0 p -104.2 138.08 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -84.8 -52.91 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.443 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 38.2 t -167.66 118.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.826 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 37.4 p -172.02 118.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 166.0 125.08 0.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.6 m -94.64 85.07 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.5 p -102.17 85.65 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 146.36 93.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.84 104.86 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 151.85 18.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.46 124.86 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -65.67 139.76 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.8 mt -102.7 175.37 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -90.92 169.64 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 30.4 m170 -118.47 112.97 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -38.65 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 16.8 t60 -72.41 -68.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 m -44.58 -58.14 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 31.0 m -47.53 -24.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -122.81 35.47 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -123.77 125.04 44.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.72 30.28 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 t -104.01 123.47 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.77 36.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 t -56.02 132.42 49.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.8 mmm -128.97 54.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -98.1 126.51 43.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -41.92 116.43 1.67 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 109.63 2.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.5 mm-40 -103.18 158.32 32.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 10.2 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -152.46 -58.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.7 mp -54.33 -75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.573 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 2.1 p -134.04 168.82 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.1 p -124.69 -174.98 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.47 158.93 34.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 41' ' ' PHE . 9.1 mt -100.4 148.73 24.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.48 141.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.53 143.55 30.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 48.8 t -50.02 134.46 22.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.2 18.01 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 68.0 mt -107.94 14.49 25.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.2 m 44.81 34.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 p -65.21 -24.87 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.27 54.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.16 137.13 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.8 t -107.4 116.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.761 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -133.95 159.99 39.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' LYS . 83.7 m-70 -62.13 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' HIS . 82.3 p -35.56 -40.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.7 p -66.02 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.1 mmmp? -61.37 -35.98 78.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -33.57 -51.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.72 -51.27 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.59 -47.83 37.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 30.9 t60 -46.66 -55.39 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 72.0 mtt180 -35.81 -45.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.23 -45.15 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . 5.0 mt -79.76 -42.87 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.3 t -34.01 127.69 0.45 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -15.48 37.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.4 m-85 -85.77 -44.07 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 55' ' ' PHE . 7.3 tp10 -35.03 133.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.44 125.88 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 15.9 m -142.3 146.74 40.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.5 62.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.5 t -39.9 137.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 mt -43.51 -43.77 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -93.39 39.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -59.37 -44.96 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.91 -47.62 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -51.52 -39.8 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.71 35.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.05 111.48 50.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -25.89 28.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -45.9 150.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -151.8 132.06 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.67 -177.63 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -66.22 142.43 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 32.0 mtp85 -49.15 -20.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -98.1 -23.23 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' ALA . 18.6 mmtp -84.21 -32.41 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -43.25 -24.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.37 -68.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.94 -30.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -78.61 -45.72 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.2 mt -45.06 -37.46 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.11 -44.28 91.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -103.61 19.78 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.2 t -88.69 129.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.14 5.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.6 63.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 87' ' ' VAL . 6.1 m -70.49 -16.37 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 86' ' ' SER . 30.1 m 31.58 44.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -105.05 -54.39 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.41 159.88 8.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.5 9.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -146.73 142.02 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 t -107.17 106.55 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.5 m -96.27 -58.62 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 49.7 p -174.21 162.86 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 178.92 143.74 5.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.2 t -169.53 161.41 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.3 p -125.52 -46.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 106.18 155.57 21.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.17 145.01 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -146.77 128.85 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -136.47 168.57 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -103.69 123.91 47.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 6' ' ' GLN . 4.3 pp -72.4 -177.55 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.47 ' N ' HD13 ' A' ' 5' ' ' LEU . 26.8 pt20 -113.39 164.54 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 18.5 m170 -96.28 108.82 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.5 m -40.23 -43.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 27.9 t60 -68.76 -66.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 m -44.26 -55.61 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 12' ' ' ASN . 22.0 m -44.76 -27.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' HG22 ' A' ' 11' ' ' VAL . 5.4 m-80 -121.01 38.28 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.96 109.99 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.59 -26.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -48.87 150.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -92.92 -46.22 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.83 38.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 104.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 mtt -100.77 40.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 m -80.82 128.43 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -47.78 119.99 7.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 27' ' ' SER . 11.0 tp10 -102.15 140.01 20.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.72 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -29.76 3.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.74 -56.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 12.5 t -138.97 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 29.8 p -108.81 166.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.8 138.72 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.28 157.67 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.96 142.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.11 136.35 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.0 t -39.46 134.48 1.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.12 2.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -122.2 20.28 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m 41.32 36.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 3.8 p -64.53 -26.72 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 44.81 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.45 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -97.92 117.64 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.95 170.78 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.3 m-70 -74.88 133.53 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -40.06 -42.46 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 p -62.76 -39.8 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.2 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -36.09 -52.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -44.19 -51.91 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.62 -50.8 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 46.7 t60 -43.85 -55.82 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' HIS . 38.9 mtt180 -38.26 -45.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.45 -43.17 64.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' CYS . 11.8 mt -81.08 -52.36 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.6 t -32.76 131.65 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -31.79 19.88 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.408 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.532 ' CE1' ' HA ' ' A' ' 37' ' ' CYS . 10.9 m-85 -60.82 -37.4 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' PHE . 9.2 tt0 -38.13 131.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.65 124.15 19.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 ' CG1' ' HG2' ' A' ' 73' ' ' ARG . 16.2 m -134.61 146.97 61.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 145.11 56.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.0 t -46.77 131.3 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' CYS . 12.5 mt -35.75 -43.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.401 HD22 ' CD2' ' A' ' 80' ' ' LEU . 1.8 m-80 -94.21 44.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' CYS . 37.6 t -68.47 -30.9 69.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.2 -53.74 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -54.14 -41.12 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.18 54.61 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -91.4 110.63 44.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -91.61 120.43 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -127.2 132.97 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.22 179.48 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' HB1' ' CG ' ' A' ' 75' ' ' LYS . . . -60.99 156.89 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HG2' ' CG1' ' A' ' 58' ' ' VAL . 7.9 mmt85 -63.62 -36.39 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -83.29 7.32 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' CG ' ' HB1' ' A' ' 72' ' ' ALA . 21.0 mmmt -115.35 -33.43 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 77' ' ' ALA . 13.3 m -48.8 -21.97 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 76' ' ' VAL . . . -62.76 -37.21 85.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.047 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.62 -46.36 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.52 -36.6 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' CD2' HD22 ' A' ' 62' ' ' ASN . 19.3 mt -54.69 -36.81 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.53 -46.95 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -105.76 24.39 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.87 129.95 52.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -36.6 10.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.45 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.9 m -53.5 -17.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' SER . 23.6 m 34.09 39.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -146.12 128.66 16.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.07 139.79 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -120.58 92.94 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -67.9 164.9 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 52.8 p -129.44 159.29 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 24.1 t -171.47 168.46 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 150.47 141.32 3.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 t -163.77 149.54 11.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.2 t -169.83 168.85 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 165.57 179.4 39.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.66 161.49 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -142.1 122.53 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -150.84 144.0 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -113.39 122.85 48.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 6' ' ' GLN . 3.9 pp -70.96 179.72 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' N ' HD12 ' A' ' 5' ' ' LEU . 27.1 pt20 -102.54 143.43 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 43.6 m170 -71.45 119.6 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.08 -32.66 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 24.5 t60 -75.17 -67.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 63.6 m -45.45 -55.99 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 31.2 m -46.88 -32.27 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.12 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -126.32 110.42 13.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' SER . 27.3 m -99.28 -40.47 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.1 m -44.97 123.49 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -73.55 -42.63 61.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -82.23 39.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.53 134.86 45.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 mtt -130.08 46.3 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -85.52 138.14 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -53.52 120.83 23.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 105.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.3 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.0 mm-40 -98.16 162.34 22.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.7 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 -59.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 27' ' ' SER . 1.7 mp -48.96 -75.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 22.6 p -128.8 165.93 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.2 p -126.5 171.56 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.2 138.68 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 41' ' ' PHE . 8.7 mt -86.32 146.94 26.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.21 138.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.18 139.86 23.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.78 133.89 1.04 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 86.5 mt -111.45 20.03 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 21.6 m 43.5 36.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -28.0 69.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 41.68 2.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.47 134.33 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.24 116.86 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 3.3 p90 -134.5 153.33 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' LYS . 79.5 m-70 -59.36 132.43 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 86.3 p -37.93 -42.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.67 -40.1 92.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 32.6 mmtt -66.24 -33.18 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -39.19 -63.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -33.89 -40.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.36 -49.02 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 67.9 t60 -50.27 -53.02 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -42.45 -37.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.59 -47.64 84.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.4 mt -78.78 -54.02 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.9 t -29.65 129.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.3 m-85 -42.71 -29.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.01 136.02 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.73 126.72 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.95 144.19 42.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 144.96 55.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 t -44.77 130.29 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.19 -38.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -87.13 39.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -58.34 -41.92 85.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -41.86 13.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.67 -37.32 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.52 32.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.6 t -80.32 112.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -24.63 29.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -49.01 139.61 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -144.25 124.68 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.65 -178.26 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 169.65 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -78.75 -36.13 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.58 6.93 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -123.0 -28.08 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.35 -26.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.6 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.33 -34.82 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' CYS . 14.7 t60 -69.44 -37.3 77.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -59.02 -30.78 68.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.0 -36.61 84.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.4 ' SD ' ' C ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -105.96 -3.66 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' HIS . 29.0 t -62.86 135.85 96.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -43.5 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.81 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 87' ' ' VAL . 5.2 t -65.2 -14.29 60.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.9 m 33.29 47.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.3 p -128.84 91.3 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.91 158.23 11.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -7.07 20.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.294 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.2 m -41.53 -53.9 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 t -106.42 -51.57 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.443 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 70.5 m -136.09 142.76 44.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.1 t -168.84 149.86 4.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -167.86 143.62 8.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 30.0 p -159.33 168.91 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.9 p -174.7 160.17 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.85 105.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpt -120.9 113.32 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -137.09 130.11 30.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.7 141.74 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.23 151.0 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.34 175.78 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.48 178.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 33.4 m170 -118.72 122.87 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.477 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 1.3 t -44.21 -46.94 9.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 35.9 t60 -65.46 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 58.6 m -44.63 -56.63 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 8' ' ' SER . 16.1 m -47.28 -25.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 11' ' ' VAL . 84.0 m-20 -121.79 35.64 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.02 102.63 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -104.45 29.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -104.17 154.39 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -97.2 -53.82 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.58 29.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.57 117.89 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.5 mtt -115.79 59.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 m -101.67 143.91 31.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 9.2 ttm105 -59.11 121.1 52.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.69 2.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.14 161.85 24.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.58 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.81 -57.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -46.74 -66.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 4.9 p -139.61 164.61 29.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.7 p -123.92 173.86 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.76 157.07 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 42' ' ' HIS . 8.1 mt -103.15 141.26 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.31 155.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.13 138.93 14.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -39.67 133.7 1.33 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.15 6.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.3 mt -118.98 17.61 13.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.7 m 45.13 35.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -62.93 -27.33 69.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.13 48.87 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.7 134.98 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.7 t -106.31 117.42 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -133.8 167.46 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' LYS . 55.1 m-70 -70.39 129.62 39.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' HIS . 53.8 p -35.05 -40.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.9 p -67.3 -45.49 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' HIS . 25.4 mmtt -62.04 -33.01 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.74 -55.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -40.76 -51.78 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.1 -53.16 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.629 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t60 -42.39 -56.06 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -40.78 -37.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.45 -44.28 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.4 mt -81.24 -51.36 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.9 t -32.65 130.09 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -36.78 10.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -56.36 -32.26 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -42.71 127.55 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -62.38 113.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.1 146.42 46.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.63 57.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.2 t -44.84 122.14 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' CYS . 6.1 mt -33.38 -40.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.78 44.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' CYS . 24.9 p -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -48.67 -40.87 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.61 41.91 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -93.16 109.23 38.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.26 28.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 20.9 m-85 -57.23 136.35 56.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 p -138.46 132.54 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.83 176.01 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.29 149.85 49.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -54.58 -38.5 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.12 10.3 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -123.01 -27.75 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -43.62 -46.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.85 -63.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -45.25 -47.21 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.0 t60 -59.8 -50.1 75.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.7 mt -44.89 -34.82 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.83 -47.17 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.4 ptm -109.18 26.92 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.19 132.32 41.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.53 2.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.04 -30.68 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -83.08 37.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 86' ' ' SER . 21.5 m 34.28 40.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.1 p -93.4 171.97 8.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.34 -156.5 11.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.57 41.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t -109.35 124.99 51.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 m -89.08 41.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.465 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 44.6 p -158.99 119.2 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.9 t -159.84 177.01 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -111.66 -135.87 6.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.2 p -144.7 169.24 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.6 m -168.32 171.86 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 134.21 94.47 0.5 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.36 132.67 54.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -156.52 126.48 6.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.83 170.33 16.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.78 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.7 mt -123.22 177.26 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 -74.21 171.49 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -122.32 112.49 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 35.3 t -34.73 -44.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 31.4 t60 -69.87 -68.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 m -43.93 -55.21 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 12' ' ' ASN . 16.2 m -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' SER . 23.4 p30 -120.46 36.53 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -128.49 121.91 29.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.69 -25.25 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -54.89 123.9 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 18.7 ttp-105 -65.97 -56.62 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -79.66 43.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 117.9 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.9 ptp -109.65 41.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -87.84 136.67 32.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 21.5 ttm105 -58.42 119.76 38.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.07 6.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.4 mm-40 -104.3 162.77 18.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 14.4 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.91 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 1.9 mp -53.43 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 43.6 t -129.67 157.75 41.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -122.41 172.48 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.12 150.9 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 41' ' ' PHE . 9.5 mt -95.61 141.09 29.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.51 139.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.08 144.76 30.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -45.82 133.88 6.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.03 15.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 52.0 mt -111.47 17.76 19.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.9 m 44.89 34.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 p -62.21 -25.91 68.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.05 46.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.45 140.66 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -110.03 117.19 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 49' ' ' HIS . 3.0 p90 -134.4 155.02 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.4 m-70 -57.98 133.77 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.3 p -40.13 -42.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p -66.61 -36.75 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.9 mmtm -71.53 -36.01 70.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -33.21 -65.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -37.13 -48.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.83 -56.4 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 17.8 t60 -41.68 -55.48 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' HIS . 56.4 mtp180 -35.91 -44.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.91 -51.45 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' CYS . 2.8 mp -77.09 -42.54 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LEU . 48.7 t -33.76 129.54 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.29 37.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.3 m-85 -82.74 -49.06 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PHE . 8.7 tp10 -34.53 140.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -59.32 126.36 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG23 ' CD ' ' A' ' 73' ' ' ARG . 22.0 m -136.2 142.34 39.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 147.06 61.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.5 t -45.97 130.88 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.84 -40.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -88.69 42.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -61.85 -18.03 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.53 -41.71 68.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -60.33 -37.37 80.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.27 47.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.436 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.0 t -97.56 109.44 50.47 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.42 32.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -62.07 136.64 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 p -140.74 131.11 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.25 178.87 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB1' ' CG ' ' A' ' 75' ' ' LYS . . . -58.19 151.22 19.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CD ' HG23 ' A' ' 58' ' ' VAL . 14.0 tpt180 -60.69 -38.56 85.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 5.15 14.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' CG ' ' HB1' ' A' ' 72' ' ' ALA . 39.6 mmtm -113.14 -22.63 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.17 -24.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.13 88.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.49 -46.54 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -61.97 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.6 mt -43.82 -40.79 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.34 -42.6 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.85 18.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.54 137.52 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.74 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.97 -31.15 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.9 m -61.54 -16.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' SER . 17.7 m 29.58 49.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -137.79 129.97 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.44 171.64 6.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.07 4.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' SER . 4.8 m -117.74 107.23 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' SER . 6.0 m -36.14 123.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.6 t -41.14 -50.72 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 54.0 p -174.24 167.01 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 147.4 -139.55 7.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.445 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.9 t 62.52 41.45 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 m -101.09 135.3 42.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -158.11 109.72 0.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mmt -132.45 141.75 48.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 2' ' ' GLU . 2.9 pp20? -147.04 130.57 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -108.36 101.02 10.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -48.09 125.2 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.45 171.09 9.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -62.21 -175.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 18.7 m170 -97.35 133.22 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 52.1 m -44.17 -33.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 20.1 t60 -86.93 -68.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 38.4 m -40.36 -42.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 23.9 m -42.17 -42.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.42 40.13 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.75 121.29 36.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.65 -40.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -48.76 134.12 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -76.05 -43.17 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -82.1 41.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -66.9 115.57 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.1 ptp -106.44 45.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -90.83 135.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 -58.31 120.39 43.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 108.67 2.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.6 mm-40 -94.97 164.75 18.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.656 0.741 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 7.8 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -167.5 -53.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 1.9 mp -50.26 -62.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLU . 38.6 t -135.31 159.07 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.5 p -124.93 171.25 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.15 159.59 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 7.5 mt -102.1 147.46 26.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.64 156.54 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.65 142.96 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 49.3 t -47.03 135.23 8.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.56 8.71 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 81.6 mt -117.34 19.28 14.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 28.9 m 42.44 37.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.34 -19.65 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.48 51.72 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.61 120.2 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.4 t -92.24 116.93 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 p90 -134.19 169.75 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -70.81 140.2 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -50.68 -37.7 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.17 -35.5 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.4 mmtt -73.99 -34.55 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.58 -34.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.4 -45.1 95.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LYS . 9.1 pt-20 -83.35 -37.81 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 43.4 t60 -56.46 -53.31 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -38.66 -35.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.43 -50.83 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' CYS . 6.3 mt -74.76 -46.44 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.4 t -31.56 126.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.96 23.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.2 m-85 -66.73 -39.86 88.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PHE . 5.9 tp10 -37.44 140.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -66.82 126.25 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.402 HG22 ' CA ' ' A' ' 73' ' ' ARG . 4.8 m -141.04 146.42 43.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.162 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.1 Cg_endo -69.72 145.1 56.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' PRO . 53.4 t -35.94 134.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.6 mt -44.93 -37.07 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -95.96 43.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.7 p -56.57 -45.01 81.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -47.38 -46.25 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.05 -43.51 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.33 50.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.3 111.03 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.88 31.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.9 m-85 -57.05 132.38 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 p -134.59 127.41 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -176.51 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 145.55 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' CA ' HG22 ' A' ' 58' ' ' VAL . 21.7 ttt180 -56.71 -20.28 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -92.79 -30.43 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -76.83 -23.83 52.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.3 m -42.7 -33.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.15 -41.37 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.7 t60 -68.61 -42.0 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.02 -32.46 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.22 -43.7 92.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ptp -112.47 25.11 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.0 t -85.87 134.76 38.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -38.79 7.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.64 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 87' ' ' VAL . 5.2 t -52.09 -18.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' SER . 34.1 m 33.58 38.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.3 t -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.68 -177.57 32.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 93.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 p 46.25 42.02 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -75.29 -44.29 46.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.1 p -173.14 164.04 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.1 p -171.43 154.05 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.72 135.28 2.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.1 t -156.5 167.49 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.396 . . . . 0.0 110.83 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.7 t -102.36 -54.04 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 93.21 48.56 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -125.06 74.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.34 138.64 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -113.42 147.38 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -110.31 124.24 51.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.5 mt -108.84 169.28 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -54.22 160.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 34.6 m170 -83.95 134.9 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 40.6 t -59.92 -67.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' CYS . 8.9 t60 -44.58 -49.01 10.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' CYS . 71.2 m -55.57 -64.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 8' ' ' SER . 29.8 m -47.97 -19.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -106.72 -16.46 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' HIS . 53.7 t -83.29 120.5 25.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.88 -39.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -46.09 161.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 25.0 ttm105 -100.99 -44.36 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.75 42.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -73.43 129.3 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -128.24 42.71 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -83.73 142.93 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.62 121.12 46.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.56 2.59 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -98.45 162.08 23.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.713 0.768 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 11.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -164.82 -55.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 2.9 mp -53.49 -73.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.536 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 41.0 t -122.18 163.31 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 12.0 p -132.83 167.31 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.73 148.07 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 41' ' ' PHE . 6.7 mt -97.74 148.84 22.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -142.05 139.21 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' CYS . . . -78.68 137.39 19.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 5.8 t -35.91 134.16 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.88 19.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 2.9 mp -112.05 21.23 16.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.6 m 42.18 37.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -63.57 -27.73 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.18 40.88 2.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.42 131.57 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' HB ' ' CG ' ' A' ' 16' ' ' ARG . 94.1 t -103.45 117.39 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.02 158.58 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 45' ' ' LYS . 61.2 m-70 -61.51 128.61 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 88.1 p -36.62 -39.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.0 p -69.23 -44.41 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 13.0 mmmt -64.91 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -39.86 -62.85 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 m-20 -37.39 -34.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -88.31 -39.29 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 52.7 t60 -58.52 -51.72 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -42.72 -39.72 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.1 -42.21 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt -85.06 -50.99 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.7 t -32.83 130.32 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -64.24 -37.13 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -44.06 139.19 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -64.74 124.77 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 23.2 m -135.72 148.27 64.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.53 57.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' SER . 17.3 t -46.2 132.0 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' CYS . 12.7 mt -36.33 -52.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -83.54 38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' CYS . 41.9 t -58.03 -42.48 85.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -42.95 -44.64 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -55.15 -37.11 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 39.38 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.26 109.11 35.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -13.68 34.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -61.29 135.84 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 p -139.55 131.81 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 -177.49 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 145.93 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' A' ' 58' ' ' VAL . 38.2 mtt-85 -53.64 -45.66 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.14 6.91 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -120.04 -23.8 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.8 t -48.32 -46.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.07 -66.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -41.06 -44.14 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.94 -50.38 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -41.28 -35.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.7 -46.42 84.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -103.38 22.13 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 t -88.8 133.64 35.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.66 -29.87 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.04 40.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -43.57 -24.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -119.56 46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . -80.95 -139.4 2.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 90' ' ' PRO . 39.5 t -32.68 124.19 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 m -73.98 -55.89 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.2 m -150.6 128.23 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 6.8 t -170.27 160.3 7.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 142.26 131.63 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.3 m -152.1 112.08 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.3 t -163.81 129.06 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -134.43 111.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.01 178.08 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -114.77 142.41 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -96.73 135.63 38.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -76.89 126.64 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.85 178.18 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -108.51 175.96 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.4 m170 -119.31 112.44 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.507 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 26.5 t -37.5 -43.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 26.0 t60 -69.9 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.4 m -44.88 -54.57 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 12' ' ' ASN . 15.1 m -46.79 -26.57 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' SER . 22.5 p30 -120.0 36.31 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.2 t -125.86 137.22 53.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.46 -32.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -47.4 121.96 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -63.21 -50.81 68.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.46 41.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 104.25 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.32 45.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -90.78 121.97 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -42.58 120.03 2.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' SER . 9.8 tp10 -99.95 140.79 21.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 53.7 Cg_endo -69.78 88.95 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.78 -36.25 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -92.49 -56.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.517 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 16.8 p -143.85 139.53 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.5 p -102.09 166.86 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.2 145.44 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 42' ' ' HIS . 7.7 mt -78.81 143.35 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 2.9 pp -137.0 130.84 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.12 147.51 47.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.4 t -54.72 134.44 64.94 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.6 mt -111.87 18.15 19.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m 42.07 35.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.075 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 55' ' ' PHE . 1.2 p -65.04 -23.83 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 50.29 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.13 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.45 116.57 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.679 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -134.38 166.22 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' LYS . 51.3 m-70 -71.28 131.95 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' HIS . 64.3 p -33.87 -43.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.3 p -70.78 -46.24 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' HIS . 54.1 mmtt -58.86 -37.2 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -33.62 -45.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.048 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.44 -49.69 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 4.8 pt-20 -74.98 -31.34 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 39.9 t60 -58.66 -53.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 56' ' ' GLU . 71.2 mtt180 -37.61 -49.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -40.01 -48.42 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.8 mp -86.74 -38.81 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -33.07 116.33 0.43 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 37' ' ' CYS . 3.6 m-85 -103.05 -48.31 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 1.6 pt-20 -34.91 146.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -65.76 128.74 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.435 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 17.0 m -141.92 148.99 51.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 146.5 60.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 t -48.65 132.77 17.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.3 mt -40.14 -44.22 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -82.88 40.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.6 p -59.32 -45.73 90.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -47.78 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -54.66 -35.07 63.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.98 45.66 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.1 t -94.65 109.38 43.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.48 26.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 56.4 m-85 -68.51 138.85 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 p -141.02 134.91 30.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.09 -175.24 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.83 144.69 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 58' ' ' VAL . 7.3 mmt85 -51.23 -27.59 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.94 -14.74 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -99.59 10.51 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.52 -30.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -62.97 -64.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -41.49 -34.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 8.0 t60 -81.2 -37.08 29.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ALA . 17.9 mt -50.53 -44.66 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.22 -45.17 61.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -91.51 -12.01 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' HIS . 44.2 t -61.11 123.96 78.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -37.38 9.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.95 -27.01 50.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -83.68 37.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' SER . 32.8 m 36.61 39.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -112.96 123.85 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.51 -154.04 8.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.71 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.365 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -121.63 135.57 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 m -104.52 153.86 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 82.5 p -150.63 160.81 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.807 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 71.1 m -144.17 138.13 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 167.8 138.23 2.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.8 m -162.41 137.7 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.0 m -169.01 172.53 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 172.33 135.09 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm -123.64 119.71 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.297 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.34 119.9 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -148.87 130.32 14.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -97.7 138.78 34.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.84 175.65 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.45 168.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 25' ' ' GLY . 20.3 m170 -115.62 134.03 55.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.464 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.9 m -55.35 -31.33 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -84.73 -69.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 50.1 m -41.24 -47.22 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 10.3 m -41.94 -42.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -111.54 40.26 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -126.79 125.05 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -130.05 27.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -99.07 124.67 44.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -63.44 -53.32 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -91.33 32.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 t -39.08 104.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.95 44.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 m -101.65 130.45 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -53.92 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 105.92 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 mm-40 -88.81 162.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 12.32 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -162.07 -53.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -59.77 -77.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' GLU . 33.4 t -108.96 151.79 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.9 p -125.85 169.64 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.19 159.42 14.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.88 151.28 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 2.8 pp -147.97 127.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.37 140.53 37.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -38.76 133.92 1.03 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.54 3.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 74.9 mt -120.99 17.92 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.2 m 45.19 35.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 p -63.26 -26.13 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 50.94 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 134.09 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -105.47 116.81 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -134.58 157.34 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' LYS . 52.4 m-70 -59.96 130.8 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.463 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 74.2 p -34.44 -42.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 18.2 p -66.24 -46.58 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' HIS . 37.7 mmtt -56.55 -40.44 75.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -34.5 -59.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ALA . 33.0 t0 -36.73 -50.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -77.12 -53.0 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 44.8 t60 -40.42 -50.21 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -44.93 -39.74 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -53.99 -47.06 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.9 mp -80.92 -53.31 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.6 t -30.81 130.11 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -44.52 -40.5 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -42.95 135.88 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' HG13 ' A' ' 58' ' ' VAL . 37.1 ttp180 -58.56 128.41 37.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG11 ' CZ ' ' A' ' 73' ' ' ARG . 14.6 m -143.79 143.52 23.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.88 61.7 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 40.9 t -43.78 138.7 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -46.14 -37.7 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' ND2' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p30 -94.58 33.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -60.72 -38.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -26.9 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.22 -37.75 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.72 37.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.23 112.65 58.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.74 26.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' CE1' ' A' ' 79' ' ' HIS . 50.1 m-85 -46.76 134.31 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -139.05 128.34 24.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -177.63 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.42 152.37 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 23.9 ttm105 -63.44 -35.88 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -86.13 9.55 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -121.23 -21.08 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.2 t -48.72 -45.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.86 -64.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -40.0 -29.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' CYS . 17.1 t60 -89.79 -38.91 13.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' ALA . 36.3 mt -48.42 -49.1 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.09 -32.9 49.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.2 ptm -110.72 12.47 22.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.4 t -80.39 135.55 53.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.43 -25.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' SER . 2.1 m -63.47 -17.96 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' SER . 20.2 m 35.11 35.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' SER . 94.4 p -94.9 167.24 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.95 167.9 4.14 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.287 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 m -86.87 81.24 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.3 p -134.0 138.87 45.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' -4' ' ' SER . 81.7 p -136.21 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' -5' ' ' SER . 79.1 p 35.53 42.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -125.05 129.4 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 t -139.84 153.83 47.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.92 0.39 . . . . 0.0 110.804 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.7 m -144.96 161.71 38.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -171.1 162.99 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtp -152.17 167.89 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -138.76 172.45 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -173.78 145.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.58 154.55 23.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.3 mt -105.57 173.03 6.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -74.45 162.37 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 13.6 m170 -118.57 129.12 55.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 33.8 m -46.49 -36.46 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' A' ' 27' ' ' SER . 45.6 t60 -82.69 -69.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 28.7 m -41.38 -48.01 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 18.1 m -41.84 -41.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -109.9 39.81 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -130.27 128.75 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -123.06 -43.43 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -44.81 125.29 4.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -72.77 -28.72 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 14.0 mmt180 -89.76 36.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -72.1 135.3 46.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.8 mtm -133.99 58.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.9 m -101.44 133.29 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.61 119.89 12.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.733 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 123.06 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 2.1 mm-40 -120.18 155.45 55.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.21 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.13 -38.72 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -80.4 -75.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 9' ' ' HIS . 3.1 m -122.63 164.78 17.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.8 p -137.5 156.79 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.54 148.36 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 8.7 mt -95.14 142.82 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 2.8 pp -135.76 138.83 47.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.82 140.84 24.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 t -40.15 133.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.72 7.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 80.6 mt -115.88 18.24 15.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 22.7 m 44.8 35.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.75 -24.1 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.04 53.73 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.26 129.78 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.17 117.4 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.15 169.37 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 63.4 m-70 -70.41 126.27 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 84.2 p -34.59 -40.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 16.6 p -66.78 -46.39 75.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.1 mmtt -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -37.25 -55.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -42.41 -44.32 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -79.34 -48.41 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 31.8 t60 -46.15 -55.03 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -39.61 -42.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -54.66 -41.53 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.5 mt -82.84 -47.59 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.5 t -33.87 129.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -25.46 28.81 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.21 -33.73 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -41.5 127.28 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -58.15 122.77 13.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.5 m -139.49 148.69 57.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.73 63.58 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 t -46.21 131.28 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' CYS . 19.1 mt -35.67 -48.79 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -84.17 49.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.5 p -67.77 -44.61 77.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -33.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.74 -39.69 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.99 36.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 t -84.7 110.78 30.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.591 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 46.2 m-85 -75.03 132.46 41.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -136.35 127.34 27.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.89 -178.5 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.79 160.51 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -69.16 -21.6 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -94.85 -16.95 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -90.06 -16.37 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.48 -28.31 22.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.61 -58.0 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.76 -25.06 6.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 16.2 t60 -92.91 -31.1 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.26 -39.84 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.58 -24.71 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 ptp -119.86 15.99 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' HIS . 3.4 t -84.54 139.63 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.96 -23.21 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' VAL . 2.4 m -87.64 40.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.6 m -35.46 -41.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.4 p 39.83 43.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.83 145.86 21.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 93.33 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 t -77.15 -58.22 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.1 p -54.28 -44.24 71.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.7 p -164.13 124.95 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.367 . . . . 0.0 110.854 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 17.4 m -122.08 162.24 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -175.54 122.37 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.4 t -150.86 142.46 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.2 p -155.25 145.67 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -164.83 138.39 5.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mtt -141.99 119.3 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -141.43 148.04 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -129.32 173.97 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -123.57 134.14 53.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.09 178.4 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 13.8 pt20 -57.27 171.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.8 m170 -121.98 107.99 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 2.3 t -32.5 -48.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' OG ' ' A' ' 27' ' ' SER . 50.8 t60 -65.79 -67.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 m -44.18 -56.48 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 8' ' ' SER . 22.6 m -46.19 -26.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.47 ' N ' HG21 ' A' ' 11' ' ' VAL . 67.5 m-20 -118.92 36.22 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 t -134.76 117.22 15.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.28 31.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.8 t -104.39 141.29 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -85.92 -39.03 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -93.79 27.22 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -58.02 126.16 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.9 mmm -122.47 53.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.59 146.05 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -65.89 120.37 68.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 122.28 8.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 mm-40 -120.21 154.25 55.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 78.66 0.98 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.4 -36.32 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 26' ' ' ILE . 3.1 mp -83.28 -71.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.464 ' OG ' ' CB ' ' A' ' 9' ' ' HIS . 3.5 m -126.71 164.69 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.9 p -136.36 160.0 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.78 157.71 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 9.0 mt -104.32 143.87 32.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.42 142.97 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.45 139.39 20.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -39.84 133.83 1.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -8.76 24.42 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 69.7 mt -109.7 18.44 20.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 19.1 m 44.01 35.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -25.29 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 48.99 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.75 130.06 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.04 116.76 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.8 p90 -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' LYS . 70.3 m-70 -59.74 133.07 55.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.6 p -37.18 -43.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.7 p -69.18 -39.64 78.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 mmtt -67.54 -19.27 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -55.64 -39.98 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -60.38 -33.16 72.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' OE2' ' CD ' ' A' ' 45' ' ' LYS . 4.3 pt-20 -91.01 -27.17 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.544 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.3 t60 -66.63 -48.69 68.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -44.35 -29.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.58 -49.93 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.2 mp -82.47 -44.56 15.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 50.1 t -33.73 123.98 0.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -47.39 -37.73 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -41.13 138.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -64.14 125.19 23.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 73' ' ' ARG . 13.4 m -142.86 145.18 32.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.87 61.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.0 t -40.54 130.92 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -38.59 -43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -93.65 40.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.4 t -59.73 -47.07 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -41.76 -46.68 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -53.28 -41.81 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.17 48.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -108.42 110.74 61.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -15.77 37.34 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.613 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.6 m-85 -54.01 132.26 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -136.53 128.91 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.95 177.05 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -57.88 134.52 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 15.1 ttm105 -39.46 -33.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 72' ' ' ALA . 9.4 p30 -78.35 -42.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -60.24 -31.58 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -42.54 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.7 -38.64 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.613 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 26.6 t60 -67.4 -49.96 61.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 mt -46.12 -37.35 6.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.07 -42.67 73.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -113.33 23.27 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.9 t -82.33 133.3 50.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.42 2.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.72 -31.84 64.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.516 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.8 m -59.26 -13.89 9.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' A' ' 86' ' ' SER . 8.2 m 28.13 50.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -111.1 105.36 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.88 169.61 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.73 10.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -58.32 154.35 13.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -43.11 -53.76 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 45.6 m -143.89 170.66 15.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 55.8 m -139.69 171.76 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -150.4 130.07 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.1 m -134.29 145.64 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.4 t -127.19 158.48 36.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -153.28 148.73 19.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -170.76 159.39 6.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -90.43 83.61 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -148.56 108.41 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.95 133.28 56.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 6' ' ' GLN . 4.3 pp -69.64 -177.72 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' N ' HD12 ' A' ' 5' ' ' LEU . 25.1 mt-30 -118.41 175.29 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 49.1 m170 -105.34 114.89 29.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -55.57 -56.87 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 33.0 t60 -48.48 -62.63 1.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -59.72 -34.13 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.57 -27.65 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -130.36 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -112.3 91.49 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.22 29.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.8 t -104.4 129.02 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -76.18 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -81.19 40.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -62.84 131.51 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -126.55 39.55 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 21' ' ' ARG . 44.2 m -83.93 140.1 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' N ' HG23 ' A' ' 20' ' ' THR . 23.2 ttp180 -54.62 119.28 20.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 25' ' ' GLY . 2.5 mm-40 -80.63 165.26 47.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.85 10.25 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.622 2.215 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.3 -56.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.9 mp -48.57 -62.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.527 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 40.7 t -124.44 173.45 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 11.3 p -147.02 168.57 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.25 141.81 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.8 mt -88.95 140.89 28.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.38 144.66 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.07 142.61 23.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.9 t -43.65 134.23 3.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.2 mt -110.49 19.59 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m 41.65 36.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -63.73 -26.98 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.89 49.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.7 136.81 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -107.57 117.47 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -132.84 158.2 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' LYS . 49.6 m-70 -62.46 133.85 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.818 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -38.25 -39.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.78 -41.0 88.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.8 mmtm -66.17 -41.01 90.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -32.19 -59.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.4 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 16.5 mt-10 -81.72 -52.07 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.695 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 33.7 t60 -39.41 -53.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -38.36 -42.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.74 -52.66 55.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.8 mp -75.02 -46.81 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.0 t -32.54 131.32 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.61 2.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.28 -41.86 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.13 139.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.48 127.28 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 22.8 m -139.5 146.14 46.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.06 58.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.4 t -44.41 138.34 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -42.15 -46.38 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -91.19 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 t -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -38.57 -53.8 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -49.77 -42.72 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.76 53.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.9 t -101.03 109.13 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.8 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 53.1 m-85 -78.36 128.25 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 p -133.66 131.91 40.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.27 177.67 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 147.51 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' A' ' 58' ' ' VAL . 8.1 mmt85 -58.24 -39.69 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -78.2 10.12 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -123.87 -30.2 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -41.33 -44.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.55 -40.98 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.2 t60 -64.53 -48.34 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 mt -45.89 -35.24 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.66 -47.16 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -108.83 25.37 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.19 137.47 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -48.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.49 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 87' ' ' VAL . 24.4 p -60.44 -16.25 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' SER . 20.6 m 32.06 44.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -131.72 -50.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -45.84 127.89 9.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -6.59 19.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.306 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t -110.69 150.27 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -107.72 -55.11 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 98.3 p -173.54 134.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.3 t -169.41 155.02 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -179.63 141.87 4.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.0 m -161.75 146.68 13.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 54.2 p -171.15 141.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -169.31 161.53 35.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ptp -163.46 139.68 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -132.75 129.59 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -150.15 131.86 14.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.17 127.85 33.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -98.51 -178.82 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -76.12 158.09 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 35.0 m170 -114.76 112.86 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 18.3 t -43.94 -34.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 47.8 t60 -77.8 -70.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -42.64 -54.23 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 20.8 m -43.58 -33.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.5 p30 -116.05 38.59 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.1 t -131.05 126.2 35.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.6 -39.35 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -44.7 122.33 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -72.71 -25.58 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -94.83 32.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 122.09 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -116.93 40.3 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.1 m -81.08 149.06 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -66.89 120.79 74.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 106.63 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -96.13 159.35 32.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 10.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -158.63 -56.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 26' ' ' ILE . 1.5 mp -54.35 -77.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 9' ' ' HIS . 23.1 t -120.57 159.29 25.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.8 p -121.57 171.2 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.76 147.65 49.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD21 ' C ' ' A' ' 41' ' ' PHE . 10.6 mt -94.02 143.6 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.34 150.12 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.51 143.16 17.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 t -40.68 133.98 1.67 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.66 5.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.617 2.211 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 96.0 mt -117.54 19.69 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 24.0 m 44.36 36.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.96 -25.43 68.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.39 49.32 1.57 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.8 136.09 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.76 117.38 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 p90 -133.91 162.1 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 76.0 m-70 -63.82 129.2 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 70.6 p -34.08 -44.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 21.6 p -65.82 -46.56 78.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' HIS . 15.1 mmtp -56.85 -39.5 74.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -33.13 -60.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ALA . 5.9 m-20 -35.89 -49.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -77.73 -49.82 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 47.3 t60 -43.34 -56.51 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -37.83 -44.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.67 -51.42 38.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' CYS . 3.2 mp -77.59 -48.73 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' LEU . 54.1 t -32.59 131.42 0.32 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 -34.23 14.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -64.65 -40.18 94.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.51 135.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -64.99 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 73' ' ' ARG . 12.2 m -132.26 146.52 61.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.453 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 14.8 t -42.8 136.3 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.35 -45.13 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' ND2' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p30 -88.19 35.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.1 t -58.62 -46.06 87.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -43.09 -39.13 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.78 -38.32 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.59 36.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.8 t -93.21 111.03 50.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -18.04 37.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 52.5 m-85 -53.42 129.59 32.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -135.6 128.51 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.25 177.79 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 147.08 53.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG2' ' CG2' ' A' ' 58' ' ' VAL . 8.0 mmm180 -53.84 -40.03 66.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -78.79 9.65 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.6 mmmp? -122.99 -32.14 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' LYS . 15.6 t -36.07 -51.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.76 -65.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -38.66 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.581 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 12.8 t60 -90.21 -36.19 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' ALA . 15.5 mt -49.58 -49.66 45.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.48 -35.53 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ptm -107.54 13.63 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.9 t -79.37 135.24 57.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.81 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.8 m -71.73 -12.04 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' SER . 30.5 m 31.69 47.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -104.31 111.75 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 145.6 19.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.77 48.48 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.377 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 p -118.9 147.03 44.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -77.88 91.72 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 25.2 m -153.88 169.41 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.4 m -156.2 173.9 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -122.44 -166.63 12.79 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m -166.58 163.97 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.7 t -169.23 135.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -148.26 147.45 18.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mmt -125.53 128.5 48.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -126.44 145.07 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -174.03 148.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -134.0 140.07 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -114.31 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -59.69 174.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.488 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 23.1 m170 -118.52 123.68 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -48.73 -33.47 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 29.5 t60 -80.22 -68.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.6 m -42.2 -52.77 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 17.2 m -43.29 -41.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -107.14 37.77 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -129.12 134.59 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.3 -39.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -44.7 132.27 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.68 -41.08 46.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.89 43.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.03 107.33 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.9 mtm -103.44 43.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ARG . 58.3 m -83.14 119.53 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 57.7 ttp85 -37.59 117.72 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG2' HD13 ' A' ' 26' ' ' ILE . 1.7 tt0 -102.69 141.07 21.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.36 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.36 -36.19 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.3 mp -93.54 -58.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.6 p -143.27 148.25 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.5 p -110.61 164.4 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.8 155.26 27.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD21 ' C ' ' A' ' 41' ' ' PHE . 14.0 mt -91.4 144.23 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 2.8 pp -139.46 136.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.84 142.59 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 t -45.83 134.3 6.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -4.99 15.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 50.4 mt -111.05 16.19 21.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 20.1 m 43.88 33.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -62.63 -27.54 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.94 49.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.98 141.65 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -111.77 116.69 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 3.2 p90 -134.42 161.62 34.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -63.05 133.82 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 p -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 10.6 p -68.64 -46.58 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 37.7 mmtt -56.31 -34.23 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -40.54 -64.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' ALA . 65.8 m-20 -34.12 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -89.26 -47.95 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 14.2 t60 -52.89 -52.32 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.6 ptm180 -38.46 -41.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 58.8 mt -56.55 -42.51 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.7 mt -82.45 -43.09 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -31.02 128.17 0.28 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.16 37.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.94 -42.19 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -39.01 135.39 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -62.58 124.05 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 73' ' ' ARG . 15.0 m -133.23 145.6 57.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.4 t -42.69 135.82 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -41.3 -49.0 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -82.64 44.05 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -57.92 -44.47 86.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.65 -54.62 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -47.56 -43.67 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.35 39.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -83.17 110.88 26.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -4.58 14.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -72.16 130.49 40.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -135.39 131.1 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.14 177.63 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.35 160.01 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HG3' ' CG1' ' A' ' 58' ' ' VAL . 67.6 mtp85 -71.84 -38.26 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -77.19 3.53 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -23.0 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.9 t -45.09 -44.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.39 -63.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -44.93 -45.21 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -61.65 -47.38 85.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.8 mt -46.91 -37.13 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.73 -41.76 78.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ptm -113.72 23.37 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.26 139.52 45.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -42.97 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.96 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 87' ' ' VAL . 3.6 m -69.84 -13.96 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 86' ' ' SER . 23.7 m 29.76 49.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 p -149.34 118.74 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.38 130.25 2.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.7 p -143.71 169.12 18.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -98.58 -45.61 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.9 m -162.46 127.4 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.3 m -159.78 161.15 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.25 118.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 88.8 p -131.11 139.18 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.9 t -168.53 126.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -151.98 176.4 30.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 144.55 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -139.53 141.68 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -137.93 114.05 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -109.69 127.53 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.83 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.458 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 47.1 mt-30 -52.92 165.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 27.8 m170 -120.74 126.04 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -47.79 -35.86 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 42.4 t60 -79.68 -69.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 33.6 m -43.38 -52.12 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 7' ' ' HIS . 34.6 m -44.15 -35.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -115.97 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -126.3 97.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -99.46 31.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -104.61 149.45 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -89.59 -60.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -81.94 40.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -60.3 122.99 15.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.47 47.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -91.65 132.81 36.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -51.29 119.17 12.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.37 1.65 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -93.16 163.89 23.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.66 1.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.04 -54.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mp -50.74 -69.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.526 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 39.8 t -127.54 159.3 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 13.4 p -124.79 167.87 14.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.34 150.28 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 11.1 mt -94.42 151.74 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.65 138.46 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.2 53.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.03 136.94 95.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -29.4 23.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.4 mt -91.32 14.89 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m 42.08 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -67.02 -24.97 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 56.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.76 146.54 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.1 t -118.23 118.44 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 p90 -131.79 162.82 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 74.6 m-70 -68.22 131.32 45.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 92.6 p -37.66 -37.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -68.42 -42.7 78.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' HIS . 27.1 mmtt -69.27 -28.9 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -35.48 -65.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.1 t0 -34.12 -51.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.37 -37.41 77.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.731 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 73.2 t60 -53.4 -38.3 63.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -55.83 -13.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.96 -21.15 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.2 mm? -102.4 -47.16 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 8.4 t -32.45 118.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.97 22.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' O ' ' C ' ' A' ' 56' ' ' GLU . 3.3 m-85 -88.37 -41.73 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -33.46 138.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 23.1 ttm180 -64.79 105.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 143.89 33.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.2 Cg_endo -69.72 146.12 59.47 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' PRO . 28.1 t -35.56 137.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.55 -36.32 23.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -93.35 40.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 p -51.07 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -52.68 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -51.01 -42.61 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.28 46.03 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.69 109.68 31.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.48 3.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 55.0 m-85 -81.09 141.5 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.4 p -142.14 130.55 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.33 176.03 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.85 131.28 50.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -43.78 -24.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.58 -37.85 16.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -87.3 26.3 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.91 -36.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.32 -55.58 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -46.69 -26.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.4 t60 -92.69 -38.94 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.4 mt -51.77 -46.21 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 82' ' ' MET . 16.2 pt-20 -56.21 -39.58 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 15.5 ptp -106.21 18.3 22.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' HIS . 4.1 t -86.74 138.79 33.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.31 6.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.14 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' VAL . 16.9 p -60.18 -19.14 52.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 35.0 m 35.92 44.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -111.53 143.28 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -72.74 126.63 10.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.07 3.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 127.35 51.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 m 56.9 41.87 27.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 10.3 t -151.13 116.81 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 27.5 p -119.04 140.08 50.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 176.14 129.8 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.1 p -133.77 176.57 8.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.9 p -135.35 157.79 46.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 149.73 124.93 1.31 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mmm -132.38 129.26 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -144.17 137.99 27.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -142.38 146.63 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.78 152.7 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.9 mt -115.92 175.14 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.58 153.32 19.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -116.18 123.33 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 m -48.13 -34.74 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 53.0 t60 -78.82 -69.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 36.5 m -44.73 -53.99 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 33.2 m -44.31 -36.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.44 38.23 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -126.29 97.54 5.11 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -98.63 27.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -102.68 155.32 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -100.86 -53.54 3.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -83.97 32.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.63 134.83 56.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 mtm -127.93 57.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -97.2 132.48 42.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -49.09 119.99 9.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.5 Cg_endo -69.84 107.57 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.67 162.63 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 6.95 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.04 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.79 -68.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.56 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 13.8 p -137.95 164.43 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.2 p -125.49 175.28 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -63.82 159.57 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 18' ' ' CYS . 13.9 mt -104.99 143.57 33.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 43' ' ' SER . 2.9 pp -142.67 138.28 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.23 148.71 42.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 24.5 t -53.04 134.23 49.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.18 17.99 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 36' ' ' VAL . 13.6 mt -106.33 13.91 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 23.2 m 45.32 36.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.1 p -67.36 -23.54 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.14 55.99 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.8 135.06 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.4 t -105.51 117.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.755 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.16 149.38 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 74.8 m-70 -50.9 133.51 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.463 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 90.2 p -35.08 -45.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.6 p -64.37 -46.38 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 36.2 mmtt -63.83 -9.79 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -67.38 -16.42 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.56 -30.81 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.81 -30.97 14.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.755 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 16.3 t60 -62.22 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.16 -27.63 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.14 -47.07 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' CYS . 2.2 mp -85.23 -40.88 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 52.5 t -32.94 119.94 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -15.06 36.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.41 -23.54 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -53.59 131.3 38.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -58.81 119.89 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 73' ' ' ARG . 19.2 m -133.71 147.4 64.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.24 64.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' SER . 3.7 t -49.36 131.17 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 60' ' ' CYS . 13.0 mt -34.72 -50.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' ND2' ' SG ' ' A' ' 60' ' ' CYS . 2.4 p30 -85.11 43.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' CYS . 28.7 t -65.62 -42.55 91.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.31 -43.04 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.19 -34.76 68.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.12 38.0 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.89 109.87 44.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.51 36.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 58.8 m-85 -57.22 125.85 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.7 p -134.73 127.46 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 -178.62 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.33 150.55 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 58' ' ' VAL . 23.7 mtp180 -57.85 -37.65 74.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -80.29 9.05 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -123.67 -25.71 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -43.98 -45.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.98 -66.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.75 -49.92 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.661 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 27.0 t60 -61.19 -49.65 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 mt -46.71 -36.58 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.24 -35.57 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.8 18.92 14.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.64 129.59 64.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.17 29.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -92.48 41.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.0 m -33.12 -42.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -168.23 135.1 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.95 -142.11 5.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.84 5.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -49.34 94.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.9 t -171.6 142.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 74.6 m -114.6 -60.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.1 m -173.36 156.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 173.19 95.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 37.9 m -154.91 152.37 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.796 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.1 p -171.15 132.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -157.86 119.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mtt -134.53 120.9 20.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.718 0.294 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -147.35 148.99 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -119.13 132.86 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.55 162.38 29.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 5' ' ' LEU . 2.1 mm? -100.22 169.99 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 9.5 pt20 -85.13 -179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 28.2 m170 -122.47 124.03 42.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 25.0 p -44.31 -37.92 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 60.1 t60 -76.95 -69.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -41.45 -55.97 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 7' ' ' HIS . 19.1 m -42.79 -36.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.8 p30 -115.14 39.95 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.42 118.79 27.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -110.09 -39.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.6 m -44.87 125.56 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -72.74 -50.13 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -81.02 41.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.58 126.41 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mmt -125.29 59.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 21' ' ' ARG . 27.2 m -100.78 139.8 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' THR . 0.3 OUTLIER -51.67 115.85 7.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.641 0.734 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.3 mm-40 -94.79 162.8 24.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 8.16 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.74 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.412 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -48.78 -70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.4 p -134.57 165.33 25.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.804 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.2 p -129.97 173.87 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.3 163.43 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 42' ' ' HIS . 7.2 mt -112.57 143.62 43.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 31' ' ' ILE . 2.8 pp -136.27 147.33 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.69 143.61 23.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.7 133.83 13.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.43 12.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 70.8 mt -114.17 17.32 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 35' ' ' LEU . 18.5 m 43.94 35.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 1.6 p -65.53 -20.68 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.03 46.55 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.54 120.66 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.5 t -94.0 116.66 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p90 -134.41 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.8 m-70 -63.12 128.87 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' HIS . 24.6 p -33.31 -44.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.4 p -65.47 -47.7 75.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.3 mmmp? -60.72 -28.59 68.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -45.53 -56.22 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 32.6 m-20 -44.93 -29.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 6.0 mp0 -93.88 -34.9 12.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.696 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 5.0 t60 -69.38 -17.24 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CG ' HD23 ' A' ' 51' ' ' LEU . 6.4 ptm180 -77.96 -8.32 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD23 ' CG ' ' A' ' 50' ' ' ARG . 2.2 mm? -85.68 -30.64 23.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.9 mp -102.22 -35.58 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 53.9 t -33.63 131.7 0.38 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 5.9 m-85 -48.39 -39.87 23.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -38.79 138.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.462 ' N ' ' OE2' ' A' ' 56' ' ' GLU . 20.7 ttm105 -68.3 112.0 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' CG ' ' A' ' 73' ' ' ARG . 12.4 m -121.31 146.88 45.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.88 58.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.6 t -39.41 136.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.04 -34.12 12.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -94.47 33.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 p -46.12 -45.84 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.03 -50.56 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.31 -42.03 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.36 41.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -87.54 109.8 29.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.71 -9.19 25.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -67.36 130.86 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -132.0 133.46 44.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.82 173.2 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.91 146.52 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' CG ' HG23 ' A' ' 58' ' ' VAL . 55.4 mtt-85 -56.25 -43.7 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -76.89 7.85 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -121.53 -25.11 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 77' ' ' ALA . 67.7 t -53.29 -45.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -35.94 -46.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.91 -49.38 68.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -56.47 -36.94 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.31 -34.45 66.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.08 -36.94 85.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.7 20.53 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.2 t -94.08 134.87 25.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.6 0.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.51 -26.2 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t -82.94 37.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.7 m -41.78 -40.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -62.8 120.55 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.52 -169.35 32.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.81 20.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -52.93 91.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' GLY . 39.2 t -52.05 -45.84 64.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.806 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.3 m170 -107.99 108.81 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -37.11 -44.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 28.8 t60 -68.71 -66.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.3 m -44.51 -56.34 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 8' ' ' SER . 21.4 m -46.88 -26.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.98 36.02 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -128.55 100.48 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 15' ' ' SER . 34.6 m -86.91 -42.71 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' VAL . 39.7 m -45.92 122.57 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -74.75 -36.54 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 5.0 ttt85 -86.44 32.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.34 135.7 57.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.2 mtt -129.94 48.76 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 128.16 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -43.55 120.5 3.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.56 1.52 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' SER . 12.3 tp10 -102.02 140.29 21.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.683 0.754 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.73 88.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.54 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 130.41 -29.44 3.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.2 mp -102.14 -58.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 6.6 p -142.14 144.99 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.2 p -109.13 167.01 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 146.45 54.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 18' ' ' CYS . 12.8 mt -85.34 149.06 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -140.58 139.91 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.45 141.22 26.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.21 133.88 3.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -3.56 12.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 59.3 mt -116.29 18.44 15.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.1 m 43.34 36.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.28 47.31 1.45 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.95 142.52 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.14 117.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -134.32 166.13 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' N ' HD23 ' A' ' 30' ' ' LEU . 70.0 m-70 -72.77 135.47 45.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.9 p -41.03 -39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.72 -39.92 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -70.9 -34.67 71.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -34.67 -61.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -42.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 45' ' ' LYS . 50.7 mm-40 -79.05 -43.85 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 34.2 t60 -51.5 -47.42 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -44.95 -43.18 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.6 mt -50.2 -41.5 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' CYS . 4.6 mp -85.79 -51.4 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LEU . 45.3 t -33.06 126.3 0.4 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 m-85 -46.31 -41.43 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.8 tm-20 -34.16 128.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -58.81 115.34 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG21 ' HD2' ' A' ' 73' ' ' ARG . 27.3 m -129.72 143.2 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.96 69.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' SER . 52.9 t -44.05 131.03 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.79 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -39.76 -36.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -94.18 42.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' CYS . 62.5 p -58.32 -29.08 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.26 -46.08 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -55.64 -42.35 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.1 45.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -90.15 108.57 27.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.4 Cg_endo -69.79 -0.02 6.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 73.4 m-85 -78.7 146.8 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -144.3 133.81 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.88 178.75 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -61.39 149.67 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 58' ' ' VAL . 10.3 tpt180 -56.31 -29.5 61.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -85.89 -31.82 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -87.03 23.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 72' ' ' ALA . 32.9 m -80.56 -34.47 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -59.99 -66.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' ALA . 12.4 pt-20 -36.29 -35.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 38.6 t60 -83.42 -42.54 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 61' ' ' LEU . 27.7 mt -55.74 -33.26 64.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.58 -47.87 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -104.84 23.37 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -89.56 138.57 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.97 10.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 40.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.807 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.646 ' O ' HG13 ' A' ' 11' ' ' VAL . 30.0 m-70 -118.52 114.56 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.695 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 m -46.42 -57.83 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.536 ' CG ' ' HB3' ' A' ' 27' ' ' SER . 7.8 t-80 -52.48 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.3 m -48.78 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' SER . 10.5 m -48.15 -24.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -118.0 34.51 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -129.67 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.2 m -94.99 31.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -103.94 146.48 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -94.22 -47.74 6.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -85.0 27.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.63 128.57 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -128.05 52.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.72 146.45 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -61.51 120.38 55.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.7 Cg_endo -69.77 111.64 2.87 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mm-40 -101.71 162.5 20.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 8.13 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.24 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -49.12 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 9' ' ' HIS . 34.6 p -129.49 169.14 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 p -132.29 178.91 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 1.3 m-20 -66.19 156.09 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 40' ' ' VAL . 10.6 mt -102.22 142.73 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.86 137.05 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.6 142.34 28.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 t -42.18 133.85 2.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.02 6.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.1 mt -118.6 19.75 13.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.3 m 43.31 36.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.87 -26.68 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.41 2.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.07 134.56 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 HD22 ' A' ' 30' ' ' LEU . 88.9 t -105.81 117.36 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -133.95 163.58 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.5 m-70 -67.26 127.24 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' HIS . 51.9 p -34.04 -43.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.8 p -62.02 -46.42 89.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' HIS . 11.6 mmmt -64.88 -35.04 79.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -34.46 -50.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -49.18 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.98 -50.76 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 48.5 t60 -45.6 -55.28 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -39.56 -41.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.77 -45.7 78.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.5 mt -80.06 -50.22 10.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.7 t -32.86 132.84 0.31 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.9 m-85 -43.83 -36.48 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.4 tt0 -37.0 135.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -56.08 125.16 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 56' ' ' GLU . 20.8 m -140.79 143.29 31.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.48 69.48 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' LEU . 12.0 t -54.8 131.85 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -37.78 -45.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -80.68 44.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.1 p -60.42 -44.62 95.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -43.61 -54.92 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -49.08 -42.77 39.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.94 49.35 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.2 t -91.84 109.32 36.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -78.92 121.46 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.6 p -126.12 130.85 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.21 -175.53 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -63.01 152.75 36.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -66.99 -33.33 75.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -87.79 10.17 19.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -119.92 -22.46 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.3 t -54.62 -47.11 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -34.6 -46.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.35 -49.01 59.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -56.01 -33.81 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 55.7 mt -60.77 -34.46 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.99 -41.77 92.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -112.4 22.83 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -84.1 139.34 39.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.29 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.99 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.769 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.857 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.7 m170 -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.2 t -44.65 -34.88 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 39.3 t60 -78.79 -69.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 41.1 m -42.32 -53.95 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 7' ' ' HIS . 21.8 m -41.91 -38.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -111.7 39.87 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.34 118.62 19.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.54 -9.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -71.23 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.34 -41.78 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 40' ' ' VAL . 5.3 mmp_? -83.75 32.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.08 127.58 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mtt -124.13 55.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -100.64 131.5 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -49.1 120.17 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 114.31 3.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -102.16 162.6 19.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.51 -58.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -48.33 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.593 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 26.4 p -131.67 164.68 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.2 p -124.62 175.51 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.13 157.43 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -103.38 151.57 22.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -146.62 138.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.4 139.87 22.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -43.16 133.62 3.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.9 mt -108.35 16.03 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 35' ' ' LEU . 15.5 m 45.72 32.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.9 p -62.27 -28.56 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.39 46.91 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.19 128.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.683 HG21 HH21 ' A' ' 17' ' ' ARG . 46.5 t -102.61 117.15 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.707 ' C ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -133.62 169.38 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.1 m-70 -71.44 128.0 34.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' HIS . 26.3 p -34.95 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 p -74.68 -46.53 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' HIS . 41.4 mmtt -60.0 -25.73 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -45.61 -64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.5 p-10 -33.53 -37.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ALA . 54.0 mm-40 -85.5 -41.16 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 56.9 t60 -60.49 -50.38 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 2.3 ptp180 -46.05 -30.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.54 -37.94 77.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 16.7 mt -85.14 -53.52 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.9 t -32.19 129.28 0.32 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' ASN . 54.1 Cg_endo -69.71 -39.35 6.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.89 -45.9 71.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.0 tp10 -43.24 139.06 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -60.91 125.89 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 71' ' ' MET . 32.6 m -135.74 145.98 55.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.731 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 146.83 60.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.09 131.39 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.954 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -39.22 -42.69 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.64 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 7.7 p30 -88.64 46.19 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -59.14 -42.54 90.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -47.68 -43.28 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.48 -40.44 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.33 49.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -94.78 110.28 48.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -69.94 145.03 52.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 p -146.89 129.12 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -159.15 -179.52 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.21 148.54 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.48 -32.85 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' OD1' ' HB1' ' A' ' 72' ' ' ALA . 21.1 p-10 -85.8 10.51 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -122.56 -28.8 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -45.73 -49.4 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -32.07 -66.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -46.04 -47.49 16.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -59.94 -47.95 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.954 HD11 HD12 ' A' ' 61' ' ' LEU . 43.6 mt -46.92 -35.93 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.29 -45.3 88.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -108.84 24.71 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.29 137.07 32.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -46.03 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -61.99 -22.29 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 m170 -118.47 112.97 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -38.65 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 27' ' ' SER . 9.4 t-80 -72.41 -68.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 m -44.58 -58.14 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 7' ' ' HIS . 31.0 m -47.53 -24.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -122.81 35.47 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -123.77 125.04 44.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.72 30.28 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 t -104.01 123.47 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.77 36.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' HD11 ' A' ' 30' ' ' LEU . 2.7 t -56.02 132.42 49.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.8 mmm -128.97 54.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -98.1 126.51 43.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -41.92 116.43 1.67 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 109.63 2.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.5 mm-40 -103.18 158.32 32.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 10.2 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.46 -58.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -54.33 -75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 23' ' ' GLU . 2.1 p -134.04 168.82 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.1 p -124.69 -174.98 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.47 158.93 34.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.1 mt -100.4 148.73 24.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -144.48 141.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.53 143.55 30.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 48.8 t -50.02 134.46 22.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.2 18.01 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.579 ' O ' HG22 ' A' ' 36' ' ' VAL . 68.0 mt -107.94 14.49 25.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 44.81 34.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 p -65.21 -24.87 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.27 54.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.16 137.13 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG12 HD22 ' A' ' 30' ' ' LEU . 38.8 t -107.4 116.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.682 ' CE1' ' CE1' ' A' ' 49' ' ' HIS . 1.4 p90 -133.95 159.99 39.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' LYS . 83.7 m-70 -62.13 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' HIS . 82.3 p -35.56 -40.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.7 p -66.02 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.1 mmmp? -61.37 -35.98 78.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -33.57 -51.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.72 -51.27 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.59 -47.83 37.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.682 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.0 t-80 -46.66 -55.39 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 72.0 mtt180 -35.81 -45.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.23 -45.15 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . 5.0 mt -79.76 -42.87 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.3 t -34.01 127.69 0.45 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 53.9 Cg_endo -69.71 -15.48 37.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.4 m-85 -85.77 -44.07 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.3 tp10 -35.03 133.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.44 125.88 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' HG3' ' A' ' 73' ' ' ARG . 15.9 m -142.3 146.74 40.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.5 62.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.5 t -39.9 137.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.007 HD12 HD11 ' A' ' 80' ' ' LEU . 19.0 mt -43.51 -43.77 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -93.39 39.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -59.37 -44.96 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.91 -47.62 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -51.52 -39.8 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.71 35.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -92.05 111.48 50.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.5 Cg_endo -69.77 -25.89 28.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -45.9 150.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -151.8 132.06 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.587 ' HG2' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.67 -177.63 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -66.22 142.43 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 58' ' ' VAL . 32.0 mtp85 -49.15 -20.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -98.1 -23.23 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' ALA . 18.6 mmtp -84.21 -32.41 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.587 HG12 ' HG2' ' A' ' 71' ' ' MET . 26.9 m -43.25 -24.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.37 -68.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.94 -30.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -78.61 -45.72 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.007 HD11 HD12 ' A' ' 61' ' ' LEU . 21.2 mt -45.06 -37.46 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.11 -44.28 91.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -103.61 19.78 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.2 t -88.69 129.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.14 5.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.6 63.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.799 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.5 m170 -96.28 108.82 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 m -40.23 -43.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 27.9 t60 -68.76 -66.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 m -44.26 -55.61 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 8' ' ' SER . 22.0 m -44.76 -27.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.01 38.28 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.96 109.99 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.59 -26.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -48.87 150.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -92.92 -46.22 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.83 38.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 104.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 mtt -100.77 40.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 m -80.82 128.43 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -47.78 119.99 7.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HG2' HD13 ' A' ' 26' ' ' ILE . 11.0 tp10 -102.15 140.01 20.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.72 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 133.44 -29.76 3.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.678 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.2 mp -102.74 -56.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.53 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 12.5 t -138.97 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.505 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 29.8 p -108.81 166.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.8 138.72 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.725 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -75.28 157.67 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.3 pp -150.96 142.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.11 136.35 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.0 t -39.46 134.48 1.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.12 2.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 55' ' ' PHE . 25.1 mt -122.2 20.28 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 41.32 36.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 3.8 p -64.53 -26.72 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 44.81 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.45 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.623 HG12 HD22 ' A' ' 30' ' ' LEU . 59.6 t -97.92 117.64 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.725 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.9 p90 -133.95 170.78 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.3 m-70 -74.88 133.53 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.403 ' HB2' HG12 ' A' ' 31' ' ' ILE . 1.3 t -40.06 -42.46 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 p -62.76 -39.8 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.2 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -36.09 -52.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -44.19 -51.91 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.62 -50.8 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 46.7 t60 -43.85 -55.82 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' HIS . 38.9 mtt180 -38.26 -45.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.45 -43.17 64.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' CYS . 11.8 mt -81.08 -52.36 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.6 t -32.76 131.65 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -31.79 19.88 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.408 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 37' ' ' CYS . 10.9 m-85 -60.82 -37.4 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.2 tt0 -38.13 131.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.65 124.15 19.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' HG2' ' A' ' 73' ' ' ARG . 16.2 m -134.61 146.97 61.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.78 145.11 56.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.0 t -46.77 131.3 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 80' ' ' LEU . 12.5 mt -35.75 -43.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.21 44.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' CYS . 37.6 t -68.47 -30.9 69.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.2 -53.74 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -54.14 -41.12 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.18 54.61 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -91.4 110.63 44.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -91.61 120.43 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 59' ' ' PRO . 17.9 p -127.2 132.97 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.178 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -157.22 179.48 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.64 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -60.99 156.89 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.678 ' HG2' HG11 ' A' ' 58' ' ' VAL . 7.9 mmt85 -63.62 -36.39 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -83.29 7.32 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 21.0 mmmt -115.35 -33.43 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 72' ' ' ALA . 13.3 m -48.8 -21.97 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.21 85.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.62 -46.36 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.52 -36.6 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 61' ' ' LEU . 19.3 mt -54.69 -36.81 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.53 -46.95 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -105.76 24.39 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.87 129.95 52.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -36.6 10.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.45 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.808 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.745 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.7 m-70 -71.45 119.6 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.08 -32.66 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.535 ' CG ' ' HB3' ' A' ' 27' ' ' SER . 8.6 t-80 -75.17 -67.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 63.6 m -45.45 -55.99 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 7' ' ' HIS . 31.2 m -46.88 -32.27 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.12 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -126.32 110.42 13.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 15' ' ' SER . 27.3 m -99.28 -40.47 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.1 m -44.97 123.49 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -73.55 -42.63 61.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -82.23 39.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -72.53 134.86 45.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 mtt -130.08 46.3 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -85.52 138.14 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -53.52 120.83 23.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 105.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.3 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.0 mm-40 -98.16 162.34 22.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.7 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 -59.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -48.96 -75.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.535 ' HB3' ' CG ' ' A' ' 9' ' ' HIS . 22.6 p -128.8 165.93 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -126.5 171.56 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.2 138.68 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 42' ' ' HIS . 8.7 mt -86.32 146.94 26.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.21 138.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.18 139.86 23.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.78 133.89 1.04 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.5 mt -111.45 20.03 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' LEU . 21.6 m 43.5 36.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -28.0 69.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 41.68 2.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.47 134.33 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -104.24 116.86 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.703 ' CE1' ' CE1' ' A' ' 49' ' ' HIS . 3.3 p90 -134.5 153.33 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 30' ' ' LEU . 79.5 m-70 -59.36 132.43 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 86.3 p -37.93 -42.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.67 -40.1 92.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 32.6 mmtt -66.24 -33.18 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -39.19 -63.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -33.89 -40.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.36 -49.02 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.703 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 29.7 t-80 -50.27 -53.02 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -42.45 -37.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.59 -47.64 84.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.4 mt -78.78 -54.02 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.615 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 51.9 t -29.65 129.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.3 m-85 -42.71 -29.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.01 136.02 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.73 126.72 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' HE ' ' A' ' 73' ' ' ARG . 14.7 m -137.95 144.19 42.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 144.96 55.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 t -44.77 130.29 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -41.19 -38.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -87.13 39.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -58.34 -41.92 85.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -41.86 13.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.67 -37.32 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.52 32.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.6 t -80.32 112.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -24.63 29.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -49.01 139.61 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -144.25 124.68 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.65 -178.26 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 169.65 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.503 ' HE ' HG11 ' A' ' 58' ' ' VAL . 15.3 tpp85 -78.75 -36.13 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.58 6.93 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -123.0 -28.08 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.35 -26.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.6 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.33 -34.82 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' CYS . 2.9 t-80 -69.44 -37.3 77.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 61' ' ' LEU . 85.7 mt -59.02 -30.78 68.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.0 -36.61 84.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.4 ' SD ' ' C ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -105.96 -3.66 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' HIS . 29.0 t -62.86 135.85 96.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -43.5 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.81 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.81 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.709 ' O ' HG13 ' A' ' 11' ' ' VAL . 53.0 m-70 -118.72 122.87 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.718 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.3 t -44.21 -46.94 9.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.409 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 13.3 t-80 -65.46 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 58.6 m -44.63 -56.63 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 8' ' ' SER . 16.1 m -47.28 -25.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -121.79 35.64 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.02 102.63 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -104.45 29.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -104.17 154.39 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -97.2 -53.82 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.58 29.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.57 117.89 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.5 mtt -115.79 59.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 m -101.67 143.91 31.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 9.2 ttm105 -59.11 121.1 52.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.69 2.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.14 161.85 24.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.58 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.81 -57.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.8 mp -46.74 -66.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 p -139.61 164.61 29.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.7 p -123.92 173.86 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.76 157.07 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.1 mt -103.15 141.26 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.31 155.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.13 138.93 14.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -39.67 133.7 1.33 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.15 6.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.3 mt -118.98 17.61 13.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 m 45.13 35.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -62.93 -27.33 69.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.13 48.87 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.7 134.98 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG12 HD22 ' A' ' 30' ' ' LEU . 94.7 t -106.31 117.42 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.704 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -133.8 167.46 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' LYS . 55.1 m-70 -70.39 129.62 39.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' HIS . 53.8 p -35.05 -40.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.9 p -67.3 -45.49 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' HIS . 25.4 mmtt -62.04 -33.01 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.74 -55.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -40.76 -51.78 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.1 -53.16 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.629 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t60 -42.39 -56.06 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -40.78 -37.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.45 -44.28 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.4 mt -81.24 -51.36 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.9 t -32.65 130.09 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -36.78 10.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -56.36 -32.26 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.2 tm-20 -42.71 127.55 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -62.38 113.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.608 HG21 ' HG2' ' A' ' 73' ' ' ARG . 27.7 m -122.1 146.42 46.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.63 57.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.2 t -44.84 122.14 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' CYS . 6.1 mt -33.38 -40.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.78 44.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' CYS . 24.9 p -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -48.67 -40.87 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.61 41.91 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 3.3 t -93.16 109.23 38.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.76 -10.26 28.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CG ' ' NE2' ' A' ' 79' ' ' HIS . 20.9 m-85 -57.23 136.35 56.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 p -138.46 132.54 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.83 176.01 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -67.29 149.85 49.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.608 ' HG2' HG21 ' A' ' 58' ' ' VAL . 2.3 mtp85 -54.58 -38.5 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.12 10.3 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 3.9 mptp? -123.01 -27.75 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -43.62 -46.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.85 -63.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -45.25 -47.21 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.458 ' NE2' ' CG ' ' A' ' 69' ' ' PHE . 12.7 t-80 -59.8 -50.1 75.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.7 mt -44.89 -34.82 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.83 -47.17 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.4 ptm -109.18 26.92 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.19 132.32 41.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.53 2.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.04 -30.68 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.77 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.523 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.4 m-70 -122.32 112.49 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.3 t -34.73 -44.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 14.0 t-80 -69.87 -68.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 m -43.93 -55.21 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' SER . 16.2 m -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' SER . 23.4 p30 -120.46 36.53 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -128.49 121.91 29.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.69 -25.25 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -54.89 123.9 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 18.7 ttp-105 -65.97 -56.62 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -79.66 43.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.27 117.9 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.9 ptp -109.65 41.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -87.84 136.67 32.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 21.5 ttm105 -58.42 119.76 38.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.07 6.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.4 mm-40 -104.3 162.77 18.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 14.4 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.91 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.9 mp -53.43 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.527 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 43.6 t -129.67 157.75 41.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 p -122.41 172.48 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.12 150.9 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.5 mt -95.61 141.09 29.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.754 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.51 139.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.08 144.76 30.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -45.82 133.88 6.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.03 15.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' VAL . 52.0 mt -111.47 17.76 19.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.9 m 44.89 34.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 p -62.21 -25.91 68.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.05 46.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.45 140.66 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -110.03 117.19 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 49' ' ' HIS . 3.0 p90 -134.4 155.02 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' N ' HD23 ' A' ' 30' ' ' LEU . 69.4 m-70 -57.98 133.77 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.3 p -40.13 -42.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p -66.61 -36.75 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.9 mmtm -71.53 -36.01 70.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -33.21 -65.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -37.13 -48.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.83 -56.4 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 17.8 t60 -41.68 -55.48 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' HIS . 56.4 mtp180 -35.91 -44.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.91 -51.45 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 52' ' ' LEU . 2.8 mp -77.09 -42.54 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LEU . 48.7 t -33.76 129.54 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.29 37.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.3 m-85 -82.74 -49.06 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 8.7 tp10 -34.53 140.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -59.32 126.36 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 71' ' ' MET . 22.0 m -136.2 142.34 39.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 147.06 61.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.5 t -45.97 130.88 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.991 HD12 HD11 ' A' ' 80' ' ' LEU . 12.1 mt -38.84 -40.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 3.1 p30 -88.69 42.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -61.85 -18.03 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.53 -41.71 68.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -60.33 -37.37 80.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.27 47.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.436 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.0 t -97.56 109.44 50.47 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.42 32.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -62.07 136.64 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 p -140.74 131.11 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.25 178.87 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.461 ' HB3' ' CG ' ' A' ' 75' ' ' LYS . . . -58.19 151.22 19.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.857 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.0 tpt180 -60.69 -38.56 85.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 5.15 14.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 39.6 mmtm -113.14 -22.63 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' ARG . 27.6 m -59.17 -24.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.13 88.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.49 -46.54 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -61.97 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 61' ' ' LEU . 25.6 mt -43.82 -40.79 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.34 -42.6 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.85 18.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.54 137.52 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.74 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.97 -31.15 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HB2' HG12 ' A' ' 11' ' ' VAL . 3.8 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.929 ' O ' HG13 ' A' ' 11' ' ' VAL . 21.9 m-70 -97.35 133.22 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 11' ' ' VAL . 52.1 m -44.17 -33.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 4.7 t-80 -86.93 -68.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -40.36 -42.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' HIS . 23.9 m -42.17 -42.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 11' ' ' VAL . 94.1 m-20 -113.42 40.13 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.75 121.29 36.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.65 -40.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -48.76 134.12 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -76.05 -43.17 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -82.1 41.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.862 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -66.9 115.57 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.1 ptp -106.44 45.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -90.83 135.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 -58.31 120.39 43.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 108.67 2.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.6 mm-40 -94.97 164.75 18.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.656 0.741 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 7.8 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.5 -53.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 1.9 mp -50.26 -62.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLU . 38.6 t -135.31 159.07 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.5 p -124.93 171.25 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.15 159.59 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.5 mt -102.1 147.46 26.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.64 156.54 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.65 142.96 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 49.3 t -47.03 135.23 8.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.56 8.71 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 81.6 mt -117.34 19.28 14.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 35' ' ' LEU . 28.9 m 42.44 37.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.34 -19.65 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.48 51.72 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.61 120.2 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 30' ' ' LEU . 87.4 t -92.24 116.93 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 p90 -134.19 169.75 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -70.81 140.2 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -50.68 -37.7 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.17 -35.5 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.4 mmtt -73.99 -34.55 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.58 -34.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.4 -45.1 95.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 49' ' ' HIS . 9.1 pt-20 -83.35 -37.81 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 43.4 t60 -56.46 -53.31 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -38.66 -35.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.43 -50.83 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' CYS . 6.3 mt -74.76 -46.44 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.4 t -31.56 126.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.96 23.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.2 m-85 -66.73 -39.86 88.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PHE . 5.9 tp10 -37.44 140.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -66.82 126.25 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.04 146.42 43.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.1 Cg_endo -69.72 145.1 56.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' PRO . 53.4 t -35.94 134.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' LEU . 17.6 mt -44.93 -37.07 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -95.96 43.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.7 p -56.57 -45.01 81.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -47.38 -46.25 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.05 -43.51 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.33 50.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.3 111.03 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.88 31.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.531 ' CG ' ' NE2' ' A' ' 79' ' ' HIS . 41.9 m-85 -57.05 132.38 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 p -134.59 127.41 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -176.51 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -62.41 145.55 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -56.71 -20.28 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -92.79 -30.43 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -76.83 -23.83 52.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 72' ' ' ALA . 3.3 m -42.7 -33.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.15 -41.37 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.531 ' NE2' ' CG ' ' A' ' 69' ' ' PHE . 8.1 t-80 -68.61 -42.0 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 61' ' ' LEU . 22.9 mt -53.02 -32.46 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.22 -43.7 92.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ptp -112.47 25.11 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.0 t -85.87 134.76 38.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -38.79 7.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.64 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.785 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.876 0.37 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 11' ' ' VAL . 34.6 m170 -83.95 134.9 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -59.92 -67.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' CYS . 2.7 t-80 -44.58 -49.01 10.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' CYS . 71.2 m -55.57 -64.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 8' ' ' SER . 29.8 m -47.97 -19.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -106.72 -16.46 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' HIS . 53.7 t -83.29 120.5 25.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.88 -39.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -46.09 161.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 25.0 ttm105 -100.99 -44.36 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.75 42.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -73.43 129.3 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -128.24 42.71 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -83.73 142.93 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.62 121.12 46.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.56 2.59 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -98.45 162.08 23.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.713 0.768 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 11.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -164.82 -55.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -53.49 -73.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 41.0 t -122.18 163.31 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 12.0 p -132.83 167.31 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.73 148.07 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 41' ' ' PHE . 6.7 mt -97.74 148.84 22.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -142.05 139.21 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' CYS . . . -78.68 137.39 19.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 5.8 t -35.91 134.16 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.88 19.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 55' ' ' PHE . 2.9 mp -112.05 21.23 16.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 42.18 37.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -63.57 -27.73 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.18 40.88 2.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.42 131.57 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG12 HD22 ' A' ' 30' ' ' LEU . 94.1 t -103.45 117.39 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE1' ' CE1' ' A' ' 49' ' ' HIS . 1.9 p90 -133.02 158.58 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.532 ' N ' HD23 ' A' ' 30' ' ' LEU . 61.2 m-70 -61.51 128.61 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 88.1 p -36.62 -39.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.0 p -69.23 -44.41 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 13.0 mmmt -64.91 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -39.86 -62.85 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 m-20 -37.39 -34.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -88.31 -39.29 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 17.0 t-80 -58.52 -51.72 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -42.72 -39.72 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.1 -42.21 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt -85.06 -50.99 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.614 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 42.7 t -32.83 130.32 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 35' ' ' LEU . 7.3 m-85 -64.24 -37.13 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -44.06 139.19 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -64.74 124.77 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.859 HG21 ' HG3' ' A' ' 73' ' ' ARG . 23.2 m -135.72 148.27 64.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.4 Cg_endo -69.83 145.53 57.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' SER . 17.3 t -46.2 132.0 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -36.33 -52.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.686 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 12.2 p30 -83.54 38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' CYS . 41.9 t -58.03 -42.48 85.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -42.95 -44.64 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -55.15 -37.11 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 39.38 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.26 109.11 35.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -13.68 34.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -61.29 135.84 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 59' ' ' PRO . 21.9 p -139.55 131.81 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -160.36 -177.49 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -66.45 145.93 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.859 ' HG3' HG21 ' A' ' 58' ' ' VAL . 38.2 mtt-85 -53.64 -45.66 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.14 6.91 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -120.04 -23.8 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' ALA . 77.8 t -48.32 -46.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.07 -66.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -41.06 -44.14 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.94 -50.38 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 32.7 mt -41.28 -35.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.7 -46.42 84.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -103.38 22.13 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 t -88.8 133.64 35.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.686 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -52.66 -29.87 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.605 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.4 m-70 -119.31 112.44 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 11' ' ' VAL . 26.5 t -37.5 -43.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.412 ' O ' ' OD1' ' A' ' 12' ' ' ASN . 10.2 t-80 -69.9 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.4 m -44.88 -54.57 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 8' ' ' SER . 15.1 m -46.79 -26.57 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' SER . 22.5 p30 -120.0 36.31 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.2 t -125.86 137.22 53.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.46 -32.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -47.4 121.96 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -63.21 -50.81 68.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.46 41.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -62.08 104.25 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.32 45.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -90.78 121.97 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -42.58 120.03 2.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' SER . 9.8 tp10 -99.95 140.79 21.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 53.7 Cg_endo -69.78 88.95 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.78 -36.25 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.5 mp -92.49 -56.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' GLU . 16.8 p -143.85 139.53 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.5 p -102.09 166.86 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.2 145.44 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.7 mt -78.81 143.35 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -137.0 130.84 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.12 147.51 47.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.4 t -54.72 134.44 64.94 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 73.6 mt -111.87 18.15 19.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 42.07 35.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.075 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 55' ' ' PHE . 1.2 p -65.04 -23.83 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 50.29 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.13 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.761 HG12 HD22 ' A' ' 30' ' ' LEU . 52.3 t -116.45 116.57 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.4 p90 -134.38 166.22 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' LYS . 51.3 m-70 -71.28 131.95 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' HIS . 64.3 p -33.87 -43.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.3 p -70.78 -46.24 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' HIS . 54.1 mmtt -58.86 -37.2 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -33.62 -45.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.048 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.44 -49.69 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 4.8 pt-20 -74.98 -31.34 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 39.9 t60 -58.66 -53.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 56' ' ' GLU . 71.2 mtt180 -37.61 -49.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -40.01 -48.42 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' H ' HD12 ' A' ' 52' ' ' LEU . 1.8 mp -86.74 -38.81 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -33.07 116.33 0.43 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 37' ' ' CYS . 3.6 m-85 -103.05 -48.31 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 1.6 pt-20 -34.91 146.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -65.76 128.74 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.82 HG21 ' HG2' ' A' ' 73' ' ' ARG . 17.0 m -141.92 148.99 51.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.8 Cg_endo -69.71 146.5 60.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 t -48.65 132.77 17.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 80' ' ' LEU . 55.3 mt -40.14 -44.22 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -82.88 40.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.6 p -59.32 -45.73 90.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -47.78 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -54.66 -35.07 63.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.98 45.66 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 5.1 t -94.65 109.38 43.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.74 -9.48 26.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.51 138.85 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 59' ' ' PRO . 24.6 p -141.02 134.91 30.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.454 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.09 -175.24 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -63.83 144.69 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.82 ' HG2' HG21 ' A' ' 58' ' ' VAL . 7.3 mmt85 -51.23 -27.59 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.94 -14.74 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 28.8 mmtt -99.59 10.51 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 72' ' ' ALA . 18.8 m -78.52 -30.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -62.97 -64.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -41.49 -34.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' CYS . 1.6 t-80 -81.2 -37.08 29.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.615 HD11 HD12 ' A' ' 61' ' ' LEU . 17.9 mt -50.53 -44.66 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.22 -45.17 61.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -91.51 -12.01 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' HIS . 44.2 t -61.11 123.96 78.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -37.38 9.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.95 -27.01 50.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.742 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.8 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.0 m-70 -115.62 134.03 55.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.495 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.9 m -55.35 -31.33 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -84.73 -69.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 50.1 m -41.24 -47.22 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 7' ' ' HIS . 10.3 m -41.94 -42.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -111.54 40.26 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -126.79 125.05 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -130.05 27.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -99.07 124.67 44.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -63.44 -53.32 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -91.33 32.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.814 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.4 t -39.08 104.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.95 44.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 m -101.65 130.45 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -53.92 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 105.92 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 mm-40 -88.81 162.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 12.32 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -162.07 -53.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.5 mp -59.77 -77.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' GLU . 33.4 t -108.96 151.79 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.9 p -125.85 169.64 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.19 159.42 14.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 18' ' ' CYS . 10.2 mt -104.88 151.28 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -147.97 127.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.37 140.53 37.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -38.76 133.92 1.03 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.54 3.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' O ' HG22 ' A' ' 36' ' ' VAL . 74.9 mt -120.99 17.92 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 45.19 35.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 p -63.26 -26.13 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 50.94 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 134.09 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG12 HD22 ' A' ' 30' ' ' LEU . 57.3 t -105.47 116.81 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -134.58 157.34 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' LYS . 52.4 m-70 -59.96 130.8 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 74.2 p -34.44 -42.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 18.2 p -66.24 -46.58 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' HIS . 37.7 mmtt -56.55 -40.44 75.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -34.5 -59.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ALA . 33.0 t0 -36.73 -50.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -77.12 -53.0 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 44.8 t60 -40.42 -50.21 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -44.93 -39.74 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -53.99 -47.06 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.9 mp -80.92 -53.31 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.6 t -30.81 130.11 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.0 m-85 -44.52 -40.5 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' HG13 ' A' ' 58' ' ' VAL . 12.4 tp10 -42.95 135.88 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -58.56 128.41 37.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' NH2' ' A' ' 73' ' ' ARG . 14.6 m -143.79 143.52 23.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.88 61.7 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 40.9 t -43.78 138.7 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.807 HD12 HD11 ' A' ' 80' ' ' LEU . 15.3 mt -46.14 -37.7 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.669 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.8 p30 -94.58 33.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -60.72 -38.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -26.9 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.22 -37.75 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.72 37.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.23 112.65 58.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.74 26.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -46.76 134.31 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -139.05 128.34 24.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -162.83 -177.63 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.42 152.37 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.686 ' NH2' HG11 ' A' ' 58' ' ' VAL . 23.9 ttm105 -63.44 -35.88 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -86.13 9.55 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -121.23 -21.08 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG12 ' HG ' ' A' ' 80' ' ' LEU . 42.2 t -48.72 -45.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -42.86 -64.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -40.0 -29.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' CYS . 3.6 t-80 -89.79 -38.91 13.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 HD12 ' A' ' 61' ' ' LEU . 36.3 mt -48.42 -49.1 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.09 -32.9 49.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.2 ptm -110.72 12.47 22.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.4 t -80.39 135.55 53.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.669 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.43 -25.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.755 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.806 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.6 m170 -118.57 129.12 55.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.533 ' C ' HG22 ' A' ' 11' ' ' VAL . 33.8 m -46.49 -36.46 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' A' ' 27' ' ' SER . 45.6 t60 -82.69 -69.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 28.7 m -41.38 -48.01 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 7' ' ' HIS . 18.1 m -41.84 -41.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -109.9 39.81 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -130.27 128.75 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 15' ' ' SER . 28.0 m -123.06 -43.43 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.1 t -44.81 125.29 4.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -28.72 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -89.76 36.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -72.1 135.3 46.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.8 mtm -133.99 58.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.9 m -101.44 133.29 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.61 119.89 12.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.733 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 123.06 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 2.1 mm-40 -120.18 155.45 55.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.21 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.13 -38.72 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -80.4 -75.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 9' ' ' HIS . 3.1 m -122.63 164.78 17.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.8 p -137.5 156.79 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.54 148.36 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.7 mt -95.14 142.82 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.76 138.83 47.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.82 140.84 24.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 t -40.15 133.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.72 7.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.6 mt -115.88 18.24 15.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.7 m 44.8 35.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.75 -24.1 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.04 53.73 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.26 129.78 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD22 ' A' ' 30' ' ' LEU . 62.1 t -103.17 117.4 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.69 ' C ' HD23 ' A' ' 30' ' ' LEU . 2.6 p90 -134.15 169.37 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 63.4 m-70 -70.41 126.27 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 84.2 p -34.59 -40.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 16.6 p -66.78 -46.39 75.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.1 mmtt -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -37.25 -55.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -42.41 -44.32 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -79.34 -48.41 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 31.8 t60 -46.15 -55.03 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -39.61 -42.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -54.66 -41.53 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.5 mt -82.84 -47.59 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.5 t -33.87 129.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.8 Cg_endo -69.71 -25.46 28.81 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.1 m-85 -74.21 -33.73 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.6 tm-20 -41.5 127.28 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -58.15 122.77 13.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.601 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.5 m -139.49 148.69 57.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.73 63.58 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 t -46.21 131.28 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.976 HD12 HD11 ' A' ' 80' ' ' LEU . 19.1 mt -35.67 -48.79 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -84.17 49.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.5 p -67.77 -44.61 77.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -33.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.74 -39.69 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.99 36.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.0 t -84.7 110.78 30.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -75.03 132.46 41.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -136.35 127.34 27.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.89 -178.5 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -57.79 160.51 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG3' HG21 ' A' ' 58' ' ' VAL . 42.6 mtt-85 -69.16 -21.6 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -94.85 -16.95 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -90.06 -16.37 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 72' ' ' ALA . 4.4 m -55.48 -28.31 22.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.61 -58.0 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.76 -25.06 6.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 83' ' ' CYS . 3.3 t-80 -92.91 -31.1 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.976 HD11 HD12 ' A' ' 61' ' ' LEU . 14.2 mt -59.26 -39.84 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.58 -24.71 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 ptp -119.86 15.99 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 79' ' ' HIS . 3.4 t -84.54 139.63 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.96 -23.21 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 13.8 pt20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.8 m170 -121.98 107.99 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -32.5 -48.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' OG ' ' A' ' 27' ' ' SER . 50.8 t60 -65.79 -67.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 m -44.18 -56.48 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 8' ' ' SER . 22.6 m -46.19 -26.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -118.92 36.22 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 t -134.76 117.22 15.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.28 31.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.8 t -104.39 141.29 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -85.92 -39.03 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -93.79 27.22 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.486 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -58.02 126.16 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.9 mmm -122.47 53.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.59 146.05 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -65.89 120.37 68.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 122.28 8.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 mm-40 -120.21 154.25 55.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 54.3 Cg_endo -69.72 78.66 0.98 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.4 -36.32 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.1 mp -83.28 -71.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.464 ' OG ' ' CB ' ' A' ' 9' ' ' HIS . 3.5 m -126.71 164.69 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.9 p -136.36 160.0 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.78 157.71 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.56 HD22 HG12 ' A' ' 40' ' ' VAL . 9.0 mt -104.32 143.87 32.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.42 142.97 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.45 139.39 20.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -39.84 133.83 1.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -8.76 24.42 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.7 mt -109.7 18.44 20.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.1 m 44.01 35.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -25.29 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 48.99 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.75 130.06 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 30' ' ' LEU . 92.5 t -101.04 116.76 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' A' ' 49' ' ' HIS . 2.8 p90 -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' LYS . 70.3 m-70 -59.74 133.07 55.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.6 p -37.18 -43.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.7 p -69.18 -39.64 78.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 mmtt -67.54 -19.27 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -55.64 -39.98 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -60.38 -33.16 72.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' OE2' ' CD ' ' A' ' 45' ' ' LYS . 4.3 pt-20 -91.01 -27.17 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 53' ' ' CYS . 20.7 t-80 -66.63 -48.69 68.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -44.35 -29.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.58 -49.93 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.553 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.2 mp -82.47 -44.56 15.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.6 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 50.1 t -33.73 123.98 0.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.465 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.5 m-85 -47.39 -37.73 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -41.13 138.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -64.14 125.19 23.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 73' ' ' ARG . 13.4 m -142.86 145.18 32.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.87 61.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.0 t -40.54 130.92 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 80' ' ' LEU . 18.6 mt -38.59 -43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -93.65 40.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.4 t -59.73 -47.07 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -41.76 -46.68 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -53.28 -41.81 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.17 48.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -108.42 110.74 61.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -15.77 37.34 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' CG ' ' NE2' ' A' ' 79' ' ' HIS . 41.6 m-85 -54.01 132.26 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -136.53 128.91 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.95 177.05 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -57.88 134.52 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.1 ttm105 -39.46 -33.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -78.35 -42.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -60.24 -31.58 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 73' ' ' ARG . 3.0 m -42.54 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.7 -38.64 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.412 ' NE2' ' CG ' ' A' ' 69' ' ' PHE . 8.6 t-80 -67.4 -49.96 61.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 61' ' ' LEU . 21.6 mt -46.12 -37.35 6.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.07 -42.67 73.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -113.33 23.27 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.9 t -82.33 133.3 50.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.42 2.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.72 -31.84 64.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.552 ' CD2' ' HB3' ' A' ' 28' ' ' CYS . 3.1 m-70 -105.34 114.89 29.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -55.57 -56.87 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 11.9 t-80 -48.48 -62.63 1.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.538 ' HG ' ' CG ' ' A' ' 42' ' ' HIS . 3.3 m -59.72 -34.13 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.57 -27.65 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -130.36 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -112.3 91.49 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.22 29.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.8 t -104.4 129.02 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -76.18 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -81.19 40.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.769 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.84 131.51 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -126.55 39.55 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.2 m -83.93 140.1 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -54.62 119.28 20.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -80.63 165.26 47.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.85 10.25 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.622 2.215 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.3 -56.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -48.57 -62.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.518 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 40.7 t -124.44 173.45 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . 11.3 p -147.02 168.57 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.25 141.81 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.8 mt -88.95 140.89 28.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -134.38 144.66 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.07 142.61 23.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.9 t -43.65 134.23 3.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.2 mt -110.49 19.59 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 41.65 36.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -63.73 -26.98 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.89 49.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.7 136.81 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 86.9 t -107.57 117.47 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -132.84 158.2 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.538 ' CG ' ' HG ' ' A' ' 10' ' ' CYS . 49.6 m-70 -62.46 133.85 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.818 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -38.25 -39.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.78 -41.0 88.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.8 mmtm -66.17 -41.01 90.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -32.19 -59.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.4 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 16.5 mt-10 -81.72 -52.07 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.695 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 33.7 t60 -39.41 -53.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -38.36 -42.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.74 -52.66 55.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.593 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.8 mp -75.02 -46.81 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.0 t -32.54 131.32 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.61 2.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 5.8 m-85 -53.28 -41.86 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.13 139.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.48 127.28 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.848 HG21 ' HG2' ' A' ' 73' ' ' ARG . 22.8 m -139.5 146.14 46.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.06 58.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.4 t -44.41 138.34 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.064 HD12 HD11 ' A' ' 80' ' ' LEU . 13.9 mt -42.15 -46.38 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.19 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 t -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -38.57 -53.8 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -49.77 -42.72 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.76 53.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.9 t -101.03 109.13 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.8 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 53.1 m-85 -78.36 128.25 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 p -133.66 131.91 40.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.27 177.67 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -62.58 147.51 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.848 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.1 mmt85 -58.24 -39.69 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -78.2 10.12 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -123.87 -30.2 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -41.33 -44.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.55 -40.98 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.2 t60 -64.53 -48.34 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.064 HD11 HD12 ' A' ' 61' ' ' LEU . 58.4 mt -45.89 -35.24 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.66 -47.16 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -108.83 25.37 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.19 137.47 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -48.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.49 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.913 ' O ' HG22 ' A' ' 11' ' ' VAL . 9.5 m-70 -114.76 112.86 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 18.3 t -43.94 -34.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.513 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 18.3 t-80 -77.8 -70.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -42.64 -54.23 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.913 HG22 ' O ' ' A' ' 7' ' ' HIS . 20.8 m -43.58 -33.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.5 p30 -116.05 38.59 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.1 t -131.05 126.2 35.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.6 -39.35 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -44.7 122.33 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -72.71 -25.58 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -94.83 32.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.99 122.09 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -116.93 40.3 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.1 m -81.08 149.06 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -66.89 120.79 74.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 106.63 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -96.13 159.35 32.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 10.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.63 -56.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.5 mp -54.35 -77.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.513 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 23.1 t -120.57 159.29 25.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.8 p -121.57 171.2 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.76 147.65 49.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 18' ' ' CYS . 10.6 mt -94.02 143.6 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.34 150.12 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.51 143.16 17.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 t -40.68 133.98 1.67 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.66 5.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.617 2.211 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.0 mt -117.54 19.69 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 24.0 m 44.36 36.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.96 -25.43 68.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.39 49.32 1.57 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.8 136.09 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.76 117.38 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 p90 -133.91 162.1 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 76.0 m-70 -63.82 129.2 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 70.6 p -34.08 -44.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 21.6 p -65.82 -46.56 78.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' HIS . 15.1 mmtp -56.85 -39.5 74.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -33.13 -60.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ALA . 5.9 m-20 -35.89 -49.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -77.73 -49.82 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 47.3 t60 -43.34 -56.51 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -37.83 -44.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.67 -51.42 38.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.2 mp -77.59 -48.73 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' LEU . 54.1 t -32.59 131.42 0.32 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 -34.23 14.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.3 m-85 -64.65 -40.18 94.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.51 135.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -64.99 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG21 ' HG2' ' A' ' 73' ' ' ARG . 12.2 m -132.26 146.52 61.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.453 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 14.8 t -42.8 136.3 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 80' ' ' LEU . 13.4 mt -42.35 -45.13 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.809 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.7 p30 -88.19 35.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.1 t -58.62 -46.06 87.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -43.09 -39.13 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.78 -38.32 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.59 36.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.8 t -93.21 111.03 50.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -18.04 37.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -53.42 129.59 32.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -135.6 128.51 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.25 177.79 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 147.08 53.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.0 mmm180 -53.84 -40.03 66.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -78.79 9.65 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.6 mmmp? -122.99 -32.14 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' LYS . 15.6 t -36.07 -51.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.76 -65.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -38.66 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' CYS . 2.5 t-80 -90.21 -36.19 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 61' ' ' LEU . 15.5 mt -49.58 -49.66 45.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.48 -35.53 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ptm -107.54 13.63 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.9 t -79.37 135.24 57.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.809 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.45 -25.81 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.79 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.871 ' O ' HG22 ' A' ' 11' ' ' VAL . 23.1 m170 -118.52 123.68 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 11' ' ' VAL . 72.1 m -48.73 -33.47 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 27' ' ' SER . 9.9 t-80 -80.22 -68.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.6 m -42.2 -52.77 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.2 m -43.29 -41.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -107.14 37.77 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -129.12 134.59 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.3 -39.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -44.7 132.27 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.68 -41.08 46.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.64 ' NH2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.89 43.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -79.03 107.33 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.9 mtm -103.44 43.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ARG . 58.3 m -83.14 119.53 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 57.7 ttp85 -37.59 117.72 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 tt0 -102.69 141.07 21.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.36 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.36 -36.19 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.3 mp -93.54 -58.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 9' ' ' HIS . 24.6 p -143.27 148.25 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.5 p -110.61 164.4 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.8 155.26 27.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 18' ' ' CYS . 14.0 mt -91.4 144.23 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -139.46 136.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.84 142.59 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 t -45.83 134.3 6.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -4.99 15.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.4 mt -111.05 16.19 21.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.1 m 43.88 33.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -62.63 -27.54 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.94 49.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.98 141.65 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.64 HG21 ' NH2' ' A' ' 17' ' ' ARG . 75.2 t -111.77 116.69 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 49' ' ' HIS . 3.2 p90 -134.42 161.62 34.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.402 ' N ' HD23 ' A' ' 30' ' ' LEU . 65.9 m-70 -63.05 133.82 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 p -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 10.6 p -68.64 -46.58 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 37.7 mmtt -56.31 -34.23 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -40.54 -64.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' ALA . 65.8 m-20 -34.12 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -89.26 -47.95 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 4.2 t-80 -52.89 -52.32 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.6 ptm180 -38.46 -41.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 58.8 mt -56.55 -42.51 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.7 mt -82.45 -43.09 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -31.02 128.17 0.28 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.16 37.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -87.94 -42.19 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 58' ' ' VAL . 17.0 tp10 -39.01 135.39 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -62.58 124.05 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.62 HG21 ' CG ' ' A' ' 73' ' ' ARG . 15.0 m -133.23 145.6 57.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.4 t -42.69 135.82 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 80' ' ' LEU . 19.8 mt -41.3 -49.0 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -82.64 44.05 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -57.92 -44.47 86.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.65 -54.62 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -47.56 -43.67 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.35 39.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 t -83.17 110.88 26.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.79 -4.58 14.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -72.16 130.49 40.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -135.39 131.1 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.14 177.63 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -57.35 160.01 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.62 ' CG ' HG21 ' A' ' 58' ' ' VAL . 67.6 mtp85 -71.84 -38.26 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -77.19 3.53 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -23.0 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' ALA . 6.9 t -45.09 -44.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -44.39 -63.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -44.93 -45.21 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -61.65 -47.38 85.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 61' ' ' LEU . 93.8 mt -46.91 -37.13 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.73 -41.76 78.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ptm -113.72 23.37 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.26 139.52 45.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -42.97 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.96 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.856 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 47.1 mt-30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.853 0.359 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 11' ' ' VAL . 31.6 m-70 -120.74 126.04 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' HG22 ' A' ' 11' ' ' VAL . 56.8 m -47.79 -35.86 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 12.4 t-80 -79.68 -69.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 33.6 m -43.38 -52.12 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 7' ' ' HIS . 34.6 m -44.15 -35.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -115.97 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -126.3 97.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -99.46 31.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -104.61 149.45 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -89.59 -60.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.618 HH12 HG21 ' A' ' 40' ' ' VAL . 13.6 mmt-85 -81.94 40.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.869 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -60.3 122.99 15.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.47 47.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -91.65 132.81 36.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -51.29 119.17 12.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.37 1.65 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -93.16 163.89 23.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.66 1.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.04 -54.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 27' ' ' SER . 1.9 mp -50.74 -69.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 26' ' ' ILE . 39.8 t -127.54 159.3 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 p -124.79 167.87 14.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.34 150.28 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 18' ' ' CYS . 11.1 mt -94.42 151.74 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -140.65 138.46 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.2 53.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.03 136.94 95.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -29.4 23.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.4 mt -91.32 14.89 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 42.08 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -67.02 -24.97 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 56.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.76 146.54 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.618 HG21 HH12 ' A' ' 17' ' ' ARG . 52.1 t -118.23 118.44 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.694 ' CE1' ' CE1' ' A' ' 49' ' ' HIS . 1.5 p90 -131.79 162.82 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 74.6 m-70 -68.22 131.32 45.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 92.6 p -37.66 -37.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -68.42 -42.7 78.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' HIS . 27.1 mmtt -69.27 -28.9 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -35.48 -65.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.1 t0 -34.12 -51.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.37 -37.41 77.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.694 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 52.1 t-80 -53.4 -38.3 63.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -55.83 -13.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.96 -21.15 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.2 mm? -102.4 -47.16 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 8.4 t -32.45 118.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.97 22.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 3.3 m-85 -88.37 -41.73 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -33.46 138.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 23.1 ttm180 -64.79 105.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 56' ' ' GLU . 11.4 m -117.83 143.89 33.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.72 146.12 59.47 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' PRO . 28.1 t -35.56 137.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -49.55 -36.32 23.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -93.35 40.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 p -51.07 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -52.68 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -51.01 -42.61 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.28 46.03 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.69 109.68 31.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.48 3.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.09 141.5 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.4 p -142.14 130.55 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.33 176.03 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -58.85 131.28 50.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -43.78 -24.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.58 -37.85 16.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -87.3 26.3 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 72' ' ' ALA . 34.0 m -83.91 -36.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -55.32 -55.58 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -46.69 -26.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' CYS . 10.2 t-80 -92.69 -38.94 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.625 HD11 HD12 ' A' ' 61' ' ' LEU . 31.4 mt -51.77 -46.21 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 82' ' ' MET . 16.2 pt-20 -56.21 -39.58 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.443 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 15.5 ptp -106.21 18.3 22.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' HIS . 4.1 t -86.74 138.79 33.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.31 6.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.14 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -179.732 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.795 ' O ' HG22 ' A' ' 11' ' ' VAL . 20.4 m-70 -116.18 123.33 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' HG22 ' A' ' 11' ' ' VAL . 35.3 m -48.13 -34.74 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 27' ' ' SER . 20.2 t-80 -78.82 -69.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 36.5 m -44.73 -53.99 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.2 m -44.31 -36.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.44 38.23 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -126.29 97.54 5.11 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -98.63 27.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -102.68 155.32 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -100.86 -53.54 3.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -83.97 32.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.63 134.83 56.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 mtm -127.93 57.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -97.2 132.48 42.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -49.09 119.99 9.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.5 Cg_endo -69.84 107.57 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.67 162.63 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.81 6.95 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.04 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -46.79 -68.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 23' ' ' GLU . 13.8 p -137.95 164.43 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 p -125.49 175.28 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -63.82 159.57 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 42' ' ' HIS . 13.9 mt -104.99 143.57 33.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -142.67 138.28 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.23 148.71 42.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 24.5 t -53.04 134.23 49.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.18 17.99 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.6 mt -106.33 13.91 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 23.2 m 45.32 36.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.1 p -67.36 -23.54 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.14 55.99 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.8 135.06 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 30' ' ' LEU . 93.4 t -105.51 117.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.755 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.16 149.38 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.593 ' HA ' HD23 ' A' ' 30' ' ' LEU . 74.8 m-70 -50.9 133.51 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 90.2 p -35.08 -45.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.6 p -64.37 -46.38 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 36.2 mmtt -63.83 -9.79 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -67.38 -16.42 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.56 -30.81 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.81 -30.97 14.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.755 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 16.3 t60 -62.22 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.16 -27.63 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.14 -47.07 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' H ' HD12 ' A' ' 52' ' ' LEU . 2.2 mp -85.23 -40.88 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 52.5 t -32.94 119.94 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.5 Cg_endo -69.75 -15.06 36.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.41 -23.54 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.7 tm-20 -53.59 131.3 38.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -58.81 119.89 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.79 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.2 m -133.71 147.4 64.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.6 Cg_endo -69.79 148.24 64.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' SER . 3.7 t -49.36 131.17 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 80' ' ' LEU . 13.0 mt -34.72 -50.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.861 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 2.4 p30 -85.11 43.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' CYS . 28.7 t -65.62 -42.55 91.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.31 -43.04 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.19 -34.76 68.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.12 38.0 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.89 109.87 44.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.51 36.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' A' ' 79' ' ' HIS . 58.8 m-85 -57.22 125.85 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.7 p -134.73 127.46 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 -178.62 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -66.33 150.55 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.79 ' HG3' HG21 ' A' ' 58' ' ' VAL . 23.7 mtp180 -57.85 -37.65 74.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -80.29 9.05 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 1.2 mptm? -123.67 -25.71 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -43.98 -45.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.98 -66.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.75 -49.92 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' NE2' ' CG ' ' A' ' 69' ' ' PHE . 7.3 t-80 -61.19 -49.65 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 61' ' ' LEU . 39.7 mt -46.71 -36.58 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.24 -35.57 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.8 18.92 14.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.64 129.59 64.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.861 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.5 -20.17 29.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.791 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 9.5 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.927 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.2 m170 -122.47 124.03 42.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 25.0 p -44.31 -37.92 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 60.1 t60 -76.95 -69.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -41.45 -55.97 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.1 m -42.79 -36.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.8 p30 -115.14 39.95 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.42 118.79 27.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 15' ' ' SER . 34.5 m -110.09 -39.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 14' ' ' VAL . 42.6 m -44.87 125.56 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -72.74 -50.13 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -81.02 41.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.58 126.41 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mmt -125.29 59.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -100.78 139.8 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.67 115.85 7.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.641 0.734 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.3 mm-40 -94.79 162.8 24.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 8.16 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.74 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -48.78 -70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.4 p -134.57 165.33 25.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.804 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.2 p -129.97 173.87 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.3 163.43 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.2 mt -112.57 143.62 43.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.27 147.33 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.69 143.61 23.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.7 133.83 13.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.43 12.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 70.8 mt -114.17 17.32 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 43.94 35.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 1.6 p -65.53 -20.68 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.03 46.55 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.54 120.66 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 30' ' ' LEU . 91.5 t -94.0 116.66 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.75 ' CE1' ' CE1' ' A' ' 49' ' ' HIS . 2.3 p90 -134.41 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' N ' HD23 ' A' ' 30' ' ' LEU . 76.8 m-70 -63.12 128.87 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' HIS . 24.6 p -33.31 -44.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.4 p -65.47 -47.7 75.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.3 mmmp? -60.72 -28.59 68.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -45.53 -56.22 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 32.6 m-20 -44.93 -29.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' HD23 ' A' ' 51' ' ' LEU . 6.0 mp0 -93.88 -34.9 12.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.75 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 1.7 t-80 -69.38 -17.24 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HD22 ' A' ' 51' ' ' LEU . 6.4 ptm180 -77.96 -8.32 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.2 mm? -85.68 -30.64 23.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.9 mp -102.22 -35.58 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 53.9 t -33.63 131.7 0.38 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 5.9 m-85 -48.39 -39.87 23.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -38.79 138.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.462 ' N ' ' OE2' ' A' ' 56' ' ' GLU . 20.7 ttm105 -68.3 112.0 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.594 HG21 ' CG ' ' A' ' 73' ' ' ARG . 12.4 m -121.31 146.88 45.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.88 58.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.6 t -39.41 136.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.868 HD12 HD11 ' A' ' 80' ' ' LEU . 36.9 mt -49.04 -34.12 12.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -94.47 33.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 p -46.12 -45.84 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.03 -50.56 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.31 -42.03 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.36 41.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -87.54 109.8 29.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.71 -9.19 25.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -67.36 130.86 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -132.0 133.46 44.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.542 ' HG2' HG22 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.82 173.2 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -61.91 146.52 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.594 ' CG ' HG21 ' A' ' 58' ' ' VAL . 55.4 mtt-85 -56.25 -43.7 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -76.89 7.85 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -121.53 -25.11 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 71' ' ' MET . 67.7 t -53.29 -45.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -35.94 -46.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.91 -49.38 68.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -56.47 -36.94 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 HD12 ' A' ' 61' ' ' LEU . 40.7 mt -56.31 -34.45 66.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.08 -36.94 85.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.7 20.53 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.2 t -94.08 134.87 25.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.6 0.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.51 -26.2 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.3 m -167.8 170.41 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 90.6 p -171.31 148.58 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 164.8 154.47 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.3 t -130.63 175.6 8.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 64.8 p -154.33 145.47 22.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 155.53 129.08 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mtt -143.04 117.85 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -95.6 136.28 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -169.26 130.78 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -136.65 147.23 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.0 mt -117.49 178.85 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -76.28 169.77 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.3 m170 -107.99 108.81 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -37.11 -44.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 28.8 t60 -68.71 -66.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.3 m -44.51 -56.34 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 8' ' ' SER . 21.4 m -46.88 -26.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -119.98 36.02 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -128.55 100.48 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 15' ' ' SER . 34.6 m -86.91 -42.71 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' VAL . 39.7 m -45.92 122.57 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -74.75 -36.54 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 5.0 ttt85 -86.44 32.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.34 135.7 57.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.2 mtt -129.94 48.76 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 128.16 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -43.55 120.5 3.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.56 1.52 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' SER . 12.3 tp10 -102.02 140.29 21.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.683 0.754 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.73 88.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.54 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 130.41 -29.44 3.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.2 mp -102.14 -58.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 6.6 p -142.14 144.99 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.2 p -109.13 167.01 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 146.45 54.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 18' ' ' CYS . 12.8 mt -85.34 149.06 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -140.58 139.91 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.45 141.22 26.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.21 133.88 3.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -3.56 12.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 59.3 mt -116.29 18.44 15.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.1 m 43.34 36.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.28 47.31 1.45 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.95 142.52 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.14 117.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -134.32 166.13 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' N ' HD23 ' A' ' 30' ' ' LEU . 70.0 m-70 -72.77 135.47 45.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.9 p -41.03 -39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.72 -39.92 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -70.9 -34.67 71.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -34.67 -61.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -42.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 45' ' ' LYS . 50.7 mm-40 -79.05 -43.85 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 34.2 t60 -51.5 -47.42 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -44.95 -43.18 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.6 mt -50.2 -41.5 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' CYS . 4.6 mp -85.79 -51.4 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LEU . 45.3 t -33.06 126.3 0.4 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 m-85 -46.31 -41.43 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.8 tm-20 -34.16 128.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -58.81 115.34 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG21 ' HD2' ' A' ' 73' ' ' ARG . 27.3 m -129.72 143.2 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.96 69.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' SER . 52.9 t -44.05 131.03 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.79 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -39.76 -36.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -94.18 42.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' CYS . 62.5 p -58.32 -29.08 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.26 -46.08 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -55.64 -42.35 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.1 45.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -90.15 108.57 27.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.4 Cg_endo -69.79 -0.02 6.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 73.4 m-85 -78.7 146.8 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -144.3 133.81 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.88 178.75 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -61.39 149.67 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 58' ' ' VAL . 10.3 tpt180 -56.31 -29.5 61.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -85.89 -31.82 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -87.03 23.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 72' ' ' ALA . 32.9 m -80.56 -34.47 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -59.99 -66.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' ALA . 12.4 pt-20 -36.29 -35.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 38.6 t60 -83.42 -42.54 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 61' ' ' LEU . 27.7 mt -55.74 -33.26 64.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.58 -47.87 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -104.84 23.37 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -89.56 138.57 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.97 10.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 40.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' VAL . 21.4 t -123.37 -20.94 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 29.8 m 35.62 41.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.2 t -116.91 97.28 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.87 167.47 54.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.75 3.45 2.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 90' ' ' PRO . 15.7 t -33.1 114.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.0 t -136.42 128.0 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 28.5 t -128.73 125.91 38.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.879 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.1 t -125.56 -49.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 62.62 122.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.9 p -127.0 98.91 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.4 p -138.73 136.27 35.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -157.02 178.47 33.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt -170.21 124.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -138.29 109.77 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.16 160.27 22.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -98.46 133.69 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.2 -177.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -121.12 164.06 17.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.646 ' O ' HG13 ' A' ' 11' ' ' VAL . 32.4 m170 -118.52 114.56 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.695 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 m -46.42 -57.83 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 23.6 t60 -52.48 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.3 m -48.78 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' SER . 10.5 m -48.15 -24.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -118.0 34.51 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -129.67 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.2 m -94.99 31.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -103.94 146.48 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -94.22 -47.74 6.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -85.0 27.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.63 128.57 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -128.05 52.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.72 146.45 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -61.51 120.38 55.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.7 Cg_endo -69.77 111.64 2.87 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mm-40 -101.71 162.5 20.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 8.13 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.24 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -49.12 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.6 p -129.49 169.14 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -132.29 178.91 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 1.3 m-20 -66.19 156.09 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 40' ' ' VAL . 10.6 mt -102.22 142.73 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.86 137.05 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.6 142.34 28.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 t -42.18 133.85 2.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.02 6.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.1 mt -118.6 19.75 13.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.3 m 43.31 36.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.87 -26.68 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.41 2.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.07 134.56 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 HD22 ' A' ' 30' ' ' LEU . 88.9 t -105.81 117.36 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -133.95 163.58 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.5 m-70 -67.26 127.24 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' HIS . 51.9 p -34.04 -43.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.8 p -62.02 -46.42 89.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' HIS . 11.6 mmmt -64.88 -35.04 79.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -34.46 -50.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -49.18 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.98 -50.76 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 48.5 t60 -45.6 -55.28 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -39.56 -41.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.77 -45.7 78.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.5 mt -80.06 -50.22 10.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.7 t -32.86 132.84 0.31 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.9 m-85 -43.83 -36.48 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.4 tt0 -37.0 135.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -56.08 125.16 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 56' ' ' GLU . 20.8 m -140.79 143.29 31.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.48 69.48 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' LEU . 12.0 t -54.8 131.85 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -37.78 -45.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -80.68 44.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.1 p -60.42 -44.62 95.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -43.61 -54.92 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -49.08 -42.77 39.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.94 49.35 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.2 t -91.84 109.32 36.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 40.2 m-85 -78.92 121.46 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.6 p -126.12 130.85 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.21 -175.53 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -63.01 152.75 36.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -66.99 -33.33 75.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -87.79 10.17 19.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -119.92 -22.46 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.3 t -54.62 -47.11 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -34.6 -46.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.35 -49.01 59.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 37.3 t60 -56.01 -33.81 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 55.7 mt -60.77 -34.46 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.99 -41.77 92.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -112.4 22.83 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -84.1 139.34 39.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.29 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.99 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' VAL . 2.2 m -60.95 -18.25 56.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' SER . 35.1 m 33.09 42.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -123.25 103.47 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.44 139.73 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 99.89 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.8 t -58.49 140.94 53.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -122.3 107.84 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.6 p -173.6 168.37 4.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.3 t -168.56 163.91 12.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -177.13 136.87 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 57.7 m -152.6 168.32 26.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.7 t -170.05 160.42 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -167.71 86.12 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mtt -133.1 117.17 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -138.92 142.65 38.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.33 145.2 42.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.21 138.46 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.22 171.02 9.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -64.12 173.04 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.857 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.7 m170 -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.2 t -44.65 -34.88 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 39.3 t60 -78.79 -69.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 41.1 m -42.32 -53.95 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 7' ' ' HIS . 21.8 m -41.91 -38.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -111.7 39.87 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.34 118.62 19.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.54 -9.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -71.23 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.34 -41.78 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 40' ' ' VAL . 5.3 mmp_? -83.75 32.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.08 127.58 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mtt -124.13 55.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -100.64 131.5 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -49.1 120.17 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 114.31 3.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -102.16 162.6 19.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.51 -58.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -48.33 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.593 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 26.4 p -131.67 164.68 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.2 p -124.62 175.51 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.13 157.43 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -103.38 151.57 22.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -146.62 138.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.4 139.87 22.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -43.16 133.62 3.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.9 mt -108.35 16.03 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 35' ' ' LEU . 15.5 m 45.72 32.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.9 p -62.27 -28.56 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.39 46.91 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.19 128.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.683 HG21 HH21 ' A' ' 17' ' ' ARG . 46.5 t -102.61 117.15 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.707 ' C ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -133.62 169.38 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.1 m-70 -71.44 128.0 34.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' HIS . 26.3 p -34.95 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 p -74.68 -46.53 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' HIS . 41.4 mmtt -60.0 -25.73 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -45.61 -64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.5 p-10 -33.53 -37.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ALA . 54.0 mm-40 -85.5 -41.16 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 56.9 t60 -60.49 -50.38 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 2.3 ptp180 -46.05 -30.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.54 -37.94 77.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 16.7 mt -85.14 -53.52 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.9 t -32.19 129.28 0.32 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' ASN . 54.1 Cg_endo -69.71 -39.35 6.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.89 -45.9 71.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.0 tp10 -43.24 139.06 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -60.91 125.89 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 71' ' ' MET . 32.6 m -135.74 145.98 55.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.731 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 146.83 60.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.09 131.39 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.954 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -39.22 -42.69 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.64 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 7.7 p30 -88.64 46.19 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -59.14 -42.54 90.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -47.68 -43.28 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.48 -40.44 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.33 49.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -94.78 110.28 48.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -69.94 145.03 52.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 p -146.89 129.12 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -159.15 -179.52 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.21 148.54 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.48 -32.85 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' OD1' ' HB1' ' A' ' 72' ' ' ALA . 21.1 p-10 -85.8 10.51 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -122.56 -28.8 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -45.73 -49.4 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -32.07 -66.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -46.04 -47.49 16.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -59.94 -47.95 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.954 HD11 HD12 ' A' ' 61' ' ' LEU . 43.6 mt -46.92 -35.93 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.29 -45.3 88.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -108.84 24.71 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.29 137.07 32.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -46.03 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -61.99 -22.29 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 87' ' ' VAL . 31.0 t -69.71 -15.78 63.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 86' ' ' SER . 34.0 m 31.8 47.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -152.04 112.95 4.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 161.86 16.3 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 90.43 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.0 p -104.2 138.08 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -84.8 -52.91 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.443 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 38.2 t -167.66 118.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.826 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 37.4 p -172.02 118.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 166.0 125.08 0.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.6 m -94.64 85.07 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.5 p -102.17 85.65 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 146.36 93.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.84 104.86 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 151.85 18.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.46 124.86 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -65.67 139.76 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.8 mt -102.7 175.37 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -90.92 169.64 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 m170 -118.47 112.97 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -38.65 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 16.8 t60 -72.41 -68.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 m -44.58 -58.14 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 7' ' ' HIS . 31.0 m -47.53 -24.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -122.81 35.47 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -123.77 125.04 44.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.72 30.28 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 t -104.01 123.47 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.77 36.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' HD11 ' A' ' 30' ' ' LEU . 2.7 t -56.02 132.42 49.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.8 mmm -128.97 54.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -98.1 126.51 43.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -41.92 116.43 1.67 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 109.63 2.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.5 mm-40 -103.18 158.32 32.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 10.2 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.46 -58.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -54.33 -75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 2.1 p -134.04 168.82 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.1 p -124.69 -174.98 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.47 158.93 34.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.1 mt -100.4 148.73 24.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -144.48 141.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.53 143.55 30.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 48.8 t -50.02 134.46 22.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.2 18.01 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.579 ' O ' HG22 ' A' ' 36' ' ' VAL . 68.0 mt -107.94 14.49 25.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 44.81 34.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 p -65.21 -24.87 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.27 54.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.16 137.13 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG12 HD22 ' A' ' 30' ' ' LEU . 38.8 t -107.4 116.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.761 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -133.95 159.99 39.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' LYS . 83.7 m-70 -62.13 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' HIS . 82.3 p -35.56 -40.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.7 p -66.02 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.1 mmmp? -61.37 -35.98 78.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -33.57 -51.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.72 -51.27 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.59 -47.83 37.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 30.9 t60 -46.66 -55.39 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 72.0 mtt180 -35.81 -45.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.23 -45.15 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . 5.0 mt -79.76 -42.87 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.3 t -34.01 127.69 0.45 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 53.9 Cg_endo -69.71 -15.48 37.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.4 m-85 -85.77 -44.07 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.3 tp10 -35.03 133.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.44 125.88 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' HG3' ' A' ' 73' ' ' ARG . 15.9 m -142.3 146.74 40.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.5 62.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.5 t -39.9 137.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.007 HD12 HD11 ' A' ' 80' ' ' LEU . 19.0 mt -43.51 -43.77 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -93.39 39.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -59.37 -44.96 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.91 -47.62 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -51.52 -39.8 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.71 35.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -92.05 111.48 50.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.5 Cg_endo -69.77 -25.89 28.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -45.9 150.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -151.8 132.06 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.587 ' HG2' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.67 -177.63 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -66.22 142.43 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 58' ' ' VAL . 32.0 mtp85 -49.15 -20.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -98.1 -23.23 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' ALA . 18.6 mmtp -84.21 -32.41 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.587 HG12 ' HG2' ' A' ' 71' ' ' MET . 26.9 m -43.25 -24.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.37 -68.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.94 -30.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -78.61 -45.72 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.007 HD11 HD12 ' A' ' 61' ' ' LEU . 21.2 mt -45.06 -37.46 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.11 -44.28 91.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -103.61 19.78 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.2 t -88.69 129.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.14 5.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.6 63.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 87' ' ' VAL . 6.1 m -70.49 -16.37 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 86' ' ' SER . 30.1 m 31.58 44.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -105.05 -54.39 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.41 159.88 8.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.5 9.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -146.73 142.02 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 t -107.17 106.55 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.5 m -96.27 -58.62 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 49.7 p -174.21 162.86 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 178.92 143.74 5.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.2 t -169.53 161.41 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.3 p -125.52 -46.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 106.18 155.57 21.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.17 145.01 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -146.77 128.85 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -136.47 168.57 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -103.69 123.91 47.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.4 -177.55 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -113.39 164.54 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.5 m170 -96.28 108.82 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 m -40.23 -43.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 27.9 t60 -68.76 -66.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 m -44.26 -55.61 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 8' ' ' SER . 22.0 m -44.76 -27.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.01 38.28 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.96 109.99 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.59 -26.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -48.87 150.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -92.92 -46.22 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.83 38.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 104.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 mtt -100.77 40.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 m -80.82 128.43 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -47.78 119.99 7.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HG2' HD13 ' A' ' 26' ' ' ILE . 11.0 tp10 -102.15 140.01 20.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.72 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 133.44 -29.76 3.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.678 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.2 mp -102.74 -56.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.53 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 12.5 t -138.97 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 29.8 p -108.81 166.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.8 138.72 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.725 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -75.28 157.67 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.3 pp -150.96 142.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.11 136.35 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.0 t -39.46 134.48 1.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.12 2.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 55' ' ' PHE . 25.1 mt -122.2 20.28 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 41.32 36.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 3.8 p -64.53 -26.72 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 44.81 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.45 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.623 HG12 HD22 ' A' ' 30' ' ' LEU . 59.6 t -97.92 117.64 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.725 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.9 p90 -133.95 170.78 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.3 m-70 -74.88 133.53 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.403 ' HB2' HG12 ' A' ' 31' ' ' ILE . 1.3 t -40.06 -42.46 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 p -62.76 -39.8 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.2 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -36.09 -52.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -44.19 -51.91 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.62 -50.8 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 46.7 t60 -43.85 -55.82 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' HIS . 38.9 mtt180 -38.26 -45.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.45 -43.17 64.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' CYS . 11.8 mt -81.08 -52.36 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.6 t -32.76 131.65 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -31.79 19.88 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.408 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 37' ' ' CYS . 10.9 m-85 -60.82 -37.4 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.2 tt0 -38.13 131.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.65 124.15 19.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' HG2' ' A' ' 73' ' ' ARG . 16.2 m -134.61 146.97 61.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.78 145.11 56.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.0 t -46.77 131.3 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 80' ' ' LEU . 12.5 mt -35.75 -43.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.21 44.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' CYS . 37.6 t -68.47 -30.9 69.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.2 -53.74 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -54.14 -41.12 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.18 54.61 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -91.4 110.63 44.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -91.61 120.43 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 59' ' ' PRO . 17.9 p -127.2 132.97 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.178 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -157.22 179.48 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.64 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -60.99 156.89 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.678 ' HG2' HG11 ' A' ' 58' ' ' VAL . 7.9 mmt85 -63.62 -36.39 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -83.29 7.32 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 21.0 mmmt -115.35 -33.43 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 72' ' ' ALA . 13.3 m -48.8 -21.97 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.21 85.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.62 -46.36 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.52 -36.6 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 61' ' ' LEU . 19.3 mt -54.69 -36.81 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.53 -46.95 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -105.76 24.39 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.87 129.95 52.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -36.6 10.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -63.0 -33.45 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.9 m -53.5 -17.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 85' ' ' ALA . 23.6 m 34.09 39.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -146.12 128.66 16.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.07 139.79 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -120.58 92.94 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -67.9 164.9 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 52.8 p -129.44 159.29 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 24.1 t -171.47 168.46 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 150.47 141.32 3.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 t -163.77 149.54 11.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.2 t -169.83 168.85 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 165.57 179.4 39.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.66 161.49 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -142.1 122.53 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -150.84 144.0 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -113.39 122.85 48.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 5' ' ' LEU . 3.9 pp -70.96 179.72 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -102.54 143.43 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.745 ' O ' HG13 ' A' ' 11' ' ' VAL . 43.6 m170 -71.45 119.6 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.08 -32.66 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 24.5 t60 -75.17 -67.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 63.6 m -45.45 -55.99 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 7' ' ' HIS . 31.2 m -46.88 -32.27 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.12 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -126.32 110.42 13.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 15' ' ' SER . 27.3 m -99.28 -40.47 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.1 m -44.97 123.49 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -73.55 -42.63 61.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -82.23 39.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -72.53 134.86 45.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 mtt -130.08 46.3 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -85.52 138.14 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -53.52 120.83 23.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 105.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.3 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.0 mm-40 -98.16 162.34 22.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.7 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 -59.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -48.96 -75.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 22.6 p -128.8 165.93 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.2 p -126.5 171.56 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.2 138.68 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 42' ' ' HIS . 8.7 mt -86.32 146.94 26.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.21 138.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.18 139.86 23.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.78 133.89 1.04 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.5 mt -111.45 20.03 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' LEU . 21.6 m 43.5 36.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -28.0 69.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 41.68 2.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.47 134.33 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -104.24 116.86 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 3.3 p90 -134.5 153.33 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 30' ' ' LEU . 79.5 m-70 -59.36 132.43 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 86.3 p -37.93 -42.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.67 -40.1 92.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 32.6 mmtt -66.24 -33.18 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -39.19 -63.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -33.89 -40.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.36 -49.02 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 67.9 t60 -50.27 -53.02 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -42.45 -37.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.59 -47.64 84.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.4 mt -78.78 -54.02 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.9 t -29.65 129.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.3 m-85 -42.71 -29.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.01 136.02 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.73 126.72 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' HE ' ' A' ' 73' ' ' ARG . 14.7 m -137.95 144.19 42.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 144.96 55.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 t -44.77 130.29 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -41.19 -38.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -87.13 39.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -58.34 -41.92 85.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -41.86 13.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.67 -37.32 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.52 32.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.6 t -80.32 112.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -24.63 29.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -49.01 139.61 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -144.25 124.68 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.65 -178.26 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 169.65 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.503 ' HE ' HG11 ' A' ' 58' ' ' VAL . 15.3 tpp85 -78.75 -36.13 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.58 6.93 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -123.0 -28.08 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.35 -26.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.6 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.33 -34.82 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' CYS . 14.7 t60 -69.44 -37.3 77.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 61' ' ' LEU . 85.7 mt -59.02 -30.78 68.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.0 -36.61 84.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.4 ' SD ' ' C ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -105.96 -3.66 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' HIS . 29.0 t -62.86 135.85 96.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -43.5 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.81 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 87' ' ' VAL . 5.2 t -65.2 -14.29 60.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.9 m 33.29 47.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.3 p -128.84 91.3 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.91 158.23 11.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -7.07 20.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.294 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.2 m -41.53 -53.9 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 t -106.42 -51.57 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.443 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 70.5 m -136.09 142.76 44.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.1 t -168.84 149.86 4.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -167.86 143.62 8.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 30.0 p -159.33 168.91 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.9 p -174.7 160.17 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.85 105.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpt -120.9 113.32 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -137.09 130.11 30.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.7 141.74 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.23 151.0 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.34 175.78 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.48 178.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.709 ' O ' HG13 ' A' ' 11' ' ' VAL . 33.4 m170 -118.72 122.87 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.718 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.3 t -44.21 -46.94 9.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 35.9 t60 -65.46 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 58.6 m -44.63 -56.63 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 8' ' ' SER . 16.1 m -47.28 -25.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -121.79 35.64 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.02 102.63 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -104.45 29.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -104.17 154.39 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -97.2 -53.82 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.58 29.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.57 117.89 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.5 mtt -115.79 59.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 m -101.67 143.91 31.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 9.2 ttm105 -59.11 121.1 52.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.69 2.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.14 161.85 24.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.58 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.81 -57.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.8 mp -46.74 -66.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 4.9 p -139.61 164.61 29.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.7 p -123.92 173.86 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.76 157.07 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.1 mt -103.15 141.26 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.31 155.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.13 138.93 14.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -39.67 133.7 1.33 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.15 6.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.3 mt -118.98 17.61 13.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 m 45.13 35.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -62.93 -27.33 69.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.13 48.87 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.7 134.98 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG12 HD22 ' A' ' 30' ' ' LEU . 94.7 t -106.31 117.42 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.704 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -133.8 167.46 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' LYS . 55.1 m-70 -70.39 129.62 39.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' HIS . 53.8 p -35.05 -40.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.9 p -67.3 -45.49 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' HIS . 25.4 mmtt -62.04 -33.01 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.74 -55.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -40.76 -51.78 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.1 -53.16 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.629 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t60 -42.39 -56.06 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -40.78 -37.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.45 -44.28 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.4 mt -81.24 -51.36 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.9 t -32.65 130.09 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -36.78 10.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -56.36 -32.26 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.2 tm-20 -42.71 127.55 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -62.38 113.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.608 HG21 ' HG2' ' A' ' 73' ' ' ARG . 27.7 m -122.1 146.42 46.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.63 57.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.2 t -44.84 122.14 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' CYS . 6.1 mt -33.38 -40.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.78 44.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' CYS . 24.9 p -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -48.67 -40.87 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.61 41.91 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 3.3 t -93.16 109.23 38.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.76 -10.26 28.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 20.9 m-85 -57.23 136.35 56.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 p -138.46 132.54 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.83 176.01 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -67.29 149.85 49.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.608 ' HG2' HG21 ' A' ' 58' ' ' VAL . 2.3 mtp85 -54.58 -38.5 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.12 10.3 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 3.9 mptp? -123.01 -27.75 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -43.62 -46.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.85 -63.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -45.25 -47.21 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.0 t60 -59.8 -50.1 75.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.7 mt -44.89 -34.82 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.83 -47.17 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.4 ptm -109.18 26.92 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.19 132.32 41.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.53 2.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.04 -30.68 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -83.08 37.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 86' ' ' SER . 21.5 m 34.28 40.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.1 p -93.4 171.97 8.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.34 -156.5 11.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.57 41.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t -109.35 124.99 51.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 m -89.08 41.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.465 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 44.6 p -158.99 119.2 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.9 t -159.84 177.01 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -111.66 -135.87 6.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.2 p -144.7 169.24 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.6 m -168.32 171.86 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 134.21 94.47 0.5 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.36 132.67 54.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -156.52 126.48 6.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.83 170.33 16.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.78 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.7 mt -123.22 177.26 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 -74.21 171.49 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -122.32 112.49 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.3 t -34.73 -44.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 31.4 t60 -69.87 -68.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 m -43.93 -55.21 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' SER . 16.2 m -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' SER . 23.4 p30 -120.46 36.53 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -128.49 121.91 29.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.69 -25.25 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -54.89 123.9 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 18.7 ttp-105 -65.97 -56.62 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -79.66 43.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.27 117.9 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.9 ptp -109.65 41.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -87.84 136.67 32.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 21.5 ttm105 -58.42 119.76 38.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.07 6.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.4 mm-40 -104.3 162.77 18.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 14.4 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.91 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.9 mp -53.43 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.527 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 43.6 t -129.67 157.75 41.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -122.41 172.48 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.12 150.9 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.5 mt -95.61 141.09 29.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.754 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.51 139.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.08 144.76 30.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -45.82 133.88 6.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.03 15.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' VAL . 52.0 mt -111.47 17.76 19.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.9 m 44.89 34.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 p -62.21 -25.91 68.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.05 46.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.45 140.66 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -110.03 117.19 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 49' ' ' HIS . 3.0 p90 -134.4 155.02 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' N ' HD23 ' A' ' 30' ' ' LEU . 69.4 m-70 -57.98 133.77 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.3 p -40.13 -42.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p -66.61 -36.75 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.9 mmtm -71.53 -36.01 70.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -33.21 -65.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -37.13 -48.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.83 -56.4 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 17.8 t60 -41.68 -55.48 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' HIS . 56.4 mtp180 -35.91 -44.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.91 -51.45 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 52' ' ' LEU . 2.8 mp -77.09 -42.54 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LEU . 48.7 t -33.76 129.54 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.29 37.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.3 m-85 -82.74 -49.06 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 8.7 tp10 -34.53 140.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -59.32 126.36 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 71' ' ' MET . 22.0 m -136.2 142.34 39.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 147.06 61.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.5 t -45.97 130.88 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.991 HD12 HD11 ' A' ' 80' ' ' LEU . 12.1 mt -38.84 -40.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 3.1 p30 -88.69 42.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -61.85 -18.03 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.53 -41.71 68.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -60.33 -37.37 80.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.27 47.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.436 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.0 t -97.56 109.44 50.47 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.42 32.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -62.07 136.64 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 p -140.74 131.11 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.25 178.87 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.461 ' HB3' ' CG ' ' A' ' 75' ' ' LYS . . . -58.19 151.22 19.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.857 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.0 tpt180 -60.69 -38.56 85.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 5.15 14.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 39.6 mmtm -113.14 -22.63 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' ARG . 27.6 m -59.17 -24.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.13 88.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.49 -46.54 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -61.97 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 61' ' ' LEU . 25.6 mt -43.82 -40.79 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.34 -42.6 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.85 18.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.54 137.52 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.74 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.97 -31.15 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.9 m -61.54 -16.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 87' ' ' VAL . 17.7 m 29.58 49.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -137.79 129.97 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.44 171.64 6.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.07 4.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' SER . 4.8 m -117.74 107.23 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' SER . 6.0 m -36.14 123.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.6 t -41.14 -50.72 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 54.0 p -174.24 167.01 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 147.4 -139.55 7.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.445 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.9 t 62.52 41.45 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 m -101.09 135.3 42.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -158.11 109.72 0.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mmt -132.45 141.75 48.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 2' ' ' GLU . 2.9 pp20? -147.04 130.57 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -108.36 101.02 10.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -48.09 125.2 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.45 171.09 9.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HB2' HG12 ' A' ' 11' ' ' VAL . 3.8 mp0 -62.21 -175.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.929 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.7 m170 -97.35 133.22 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 11' ' ' VAL . 52.1 m -44.17 -33.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 20.1 t60 -86.93 -68.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 38.4 m -40.36 -42.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' HIS . 23.9 m -42.17 -42.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 11' ' ' VAL . 94.1 m-20 -113.42 40.13 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.75 121.29 36.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.65 -40.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -48.76 134.12 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -76.05 -43.17 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -82.1 41.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.862 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -66.9 115.57 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.1 ptp -106.44 45.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -90.83 135.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 -58.31 120.39 43.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 108.67 2.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.6 mm-40 -94.97 164.75 18.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.656 0.741 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 7.8 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -167.5 -53.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 1.9 mp -50.26 -62.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLU . 38.6 t -135.31 159.07 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.5 p -124.93 171.25 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.15 159.59 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.5 mt -102.1 147.46 26.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.64 156.54 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.65 142.96 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 49.3 t -47.03 135.23 8.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.56 8.71 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 81.6 mt -117.34 19.28 14.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 35' ' ' LEU . 28.9 m 42.44 37.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.34 -19.65 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.48 51.72 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.61 120.2 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 30' ' ' LEU . 87.4 t -92.24 116.93 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 p90 -134.19 169.75 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -70.81 140.2 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -50.68 -37.7 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.17 -35.5 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.4 mmtt -73.99 -34.55 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.58 -34.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.4 -45.1 95.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 49' ' ' HIS . 9.1 pt-20 -83.35 -37.81 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 43.4 t60 -56.46 -53.31 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -38.66 -35.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.43 -50.83 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' CYS . 6.3 mt -74.76 -46.44 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.4 t -31.56 126.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.96 23.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.2 m-85 -66.73 -39.86 88.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PHE . 5.9 tp10 -37.44 140.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -66.82 126.25 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.04 146.42 43.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.1 Cg_endo -69.72 145.1 56.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' PRO . 53.4 t -35.94 134.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' LEU . 17.6 mt -44.93 -37.07 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -95.96 43.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.7 p -56.57 -45.01 81.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -47.38 -46.25 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.05 -43.51 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.33 50.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.3 111.03 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.88 31.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.9 m-85 -57.05 132.38 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 p -134.59 127.41 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -176.51 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -62.41 145.55 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -56.71 -20.28 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -92.79 -30.43 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -76.83 -23.83 52.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 72' ' ' ALA . 3.3 m -42.7 -33.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.15 -41.37 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.7 t60 -68.61 -42.0 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 61' ' ' LEU . 22.9 mt -53.02 -32.46 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.22 -43.7 92.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ptp -112.47 25.11 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.0 t -85.87 134.76 38.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -38.79 7.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -59.95 -38.64 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 87' ' ' VAL . 5.2 t -52.09 -18.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 85' ' ' ALA . 34.1 m 33.58 38.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.3 t -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.68 -177.57 32.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 93.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 p 46.25 42.02 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -75.29 -44.29 46.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.1 p -173.14 164.04 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.1 p -171.43 154.05 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.72 135.28 2.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.1 t -156.5 167.49 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.396 . . . . 0.0 110.83 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.7 t -102.36 -54.04 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 93.21 48.56 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -125.06 74.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.34 138.64 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -113.42 147.38 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -110.31 124.24 51.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.5 mt -108.84 169.28 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 1.5 mp0 -54.22 160.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 11' ' ' VAL . 34.6 m170 -83.95 134.9 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -59.92 -67.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' CYS . 8.9 t60 -44.58 -49.01 10.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' CYS . 71.2 m -55.57 -64.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 8' ' ' SER . 29.8 m -47.97 -19.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -106.72 -16.46 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' HIS . 53.7 t -83.29 120.5 25.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.88 -39.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -46.09 161.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 25.0 ttm105 -100.99 -44.36 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.75 42.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -73.43 129.3 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -128.24 42.71 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -83.73 142.93 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.62 121.12 46.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.56 2.59 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -98.45 162.08 23.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.713 0.768 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 11.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -164.82 -55.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -53.49 -73.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 41.0 t -122.18 163.31 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 12.0 p -132.83 167.31 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.73 148.07 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 41' ' ' PHE . 6.7 mt -97.74 148.84 22.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -142.05 139.21 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' CYS . . . -78.68 137.39 19.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 5.8 t -35.91 134.16 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.88 19.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 55' ' ' PHE . 2.9 mp -112.05 21.23 16.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 42.18 37.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -63.57 -27.73 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.18 40.88 2.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.42 131.57 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG12 HD22 ' A' ' 30' ' ' LEU . 94.1 t -103.45 117.39 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.02 158.58 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.532 ' N ' HD23 ' A' ' 30' ' ' LEU . 61.2 m-70 -61.51 128.61 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 88.1 p -36.62 -39.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.0 p -69.23 -44.41 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 13.0 mmmt -64.91 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -39.86 -62.85 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 m-20 -37.39 -34.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -88.31 -39.29 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 52.7 t60 -58.52 -51.72 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -42.72 -39.72 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.1 -42.21 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt -85.06 -50.99 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.7 t -32.83 130.32 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 35' ' ' LEU . 7.3 m-85 -64.24 -37.13 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -44.06 139.19 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -64.74 124.77 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.859 HG21 ' HG3' ' A' ' 73' ' ' ARG . 23.2 m -135.72 148.27 64.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.4 Cg_endo -69.83 145.53 57.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' SER . 17.3 t -46.2 132.0 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -36.33 -52.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.686 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 12.2 p30 -83.54 38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' CYS . 41.9 t -58.03 -42.48 85.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -42.95 -44.64 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -55.15 -37.11 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 39.38 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.26 109.11 35.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -13.68 34.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -61.29 135.84 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 59' ' ' PRO . 21.9 p -139.55 131.81 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -160.36 -177.49 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -66.45 145.93 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.859 ' HG3' HG21 ' A' ' 58' ' ' VAL . 38.2 mtt-85 -53.64 -45.66 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.14 6.91 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -120.04 -23.8 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' ALA . 77.8 t -48.32 -46.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.07 -66.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -41.06 -44.14 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.94 -50.38 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 32.7 mt -41.28 -35.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.7 -46.42 84.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -103.38 22.13 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 t -88.8 133.64 35.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.686 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -52.66 -29.87 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.04 40.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -43.57 -24.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -119.56 46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . -80.95 -139.4 2.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 90' ' ' PRO . 39.5 t -32.68 124.19 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 m -73.98 -55.89 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.2 m -150.6 128.23 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 6.8 t -170.27 160.3 7.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 142.26 131.63 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.3 m -152.1 112.08 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.3 t -163.81 129.06 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -134.43 111.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.01 178.08 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -114.77 142.41 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -96.73 135.63 38.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -76.89 126.64 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.85 178.18 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -108.51 175.96 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.605 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.4 m170 -119.31 112.44 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 11' ' ' VAL . 26.5 t -37.5 -43.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 26.0 t60 -69.9 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.4 m -44.88 -54.57 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 8' ' ' SER . 15.1 m -46.79 -26.57 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' SER . 22.5 p30 -120.0 36.31 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.2 t -125.86 137.22 53.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.46 -32.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -47.4 121.96 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -63.21 -50.81 68.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.46 41.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -62.08 104.25 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.32 45.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -90.78 121.97 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -42.58 120.03 2.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' SER . 9.8 tp10 -99.95 140.79 21.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 53.7 Cg_endo -69.78 88.95 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.78 -36.25 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.5 mp -92.49 -56.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 16.8 p -143.85 139.53 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.5 p -102.09 166.86 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.2 145.44 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.7 mt -78.81 143.35 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -137.0 130.84 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.12 147.51 47.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.4 t -54.72 134.44 64.94 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 73.6 mt -111.87 18.15 19.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 42.07 35.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.075 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 55' ' ' PHE . 1.2 p -65.04 -23.83 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 50.29 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.13 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.761 HG12 HD22 ' A' ' 30' ' ' LEU . 52.3 t -116.45 116.57 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.4 p90 -134.38 166.22 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' LYS . 51.3 m-70 -71.28 131.95 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' HIS . 64.3 p -33.87 -43.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.3 p -70.78 -46.24 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' HIS . 54.1 mmtt -58.86 -37.2 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -33.62 -45.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.048 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.44 -49.69 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 4.8 pt-20 -74.98 -31.34 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 39.9 t60 -58.66 -53.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 56' ' ' GLU . 71.2 mtt180 -37.61 -49.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -40.01 -48.42 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' H ' HD12 ' A' ' 52' ' ' LEU . 1.8 mp -86.74 -38.81 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -33.07 116.33 0.43 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 37' ' ' CYS . 3.6 m-85 -103.05 -48.31 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 1.6 pt-20 -34.91 146.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -65.76 128.74 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.82 HG21 ' HG2' ' A' ' 73' ' ' ARG . 17.0 m -141.92 148.99 51.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.8 Cg_endo -69.71 146.5 60.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 t -48.65 132.77 17.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 80' ' ' LEU . 55.3 mt -40.14 -44.22 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -82.88 40.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.6 p -59.32 -45.73 90.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -47.78 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -54.66 -35.07 63.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.98 45.66 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 5.1 t -94.65 109.38 43.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.74 -9.48 26.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 56.4 m-85 -68.51 138.85 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 59' ' ' PRO . 24.6 p -141.02 134.91 30.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.454 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.09 -175.24 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -63.83 144.69 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.82 ' HG2' HG21 ' A' ' 58' ' ' VAL . 7.3 mmt85 -51.23 -27.59 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.94 -14.74 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 28.8 mmtt -99.59 10.51 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 72' ' ' ALA . 18.8 m -78.52 -30.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -62.97 -64.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -41.49 -34.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 8.0 t60 -81.2 -37.08 29.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.615 HD11 HD12 ' A' ' 61' ' ' LEU . 17.9 mt -50.53 -44.66 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.22 -45.17 61.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -91.51 -12.01 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' HIS . 44.2 t -61.11 123.96 78.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -37.38 9.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.95 -27.01 50.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -83.68 37.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' SER . 32.8 m 36.61 39.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -112.96 123.85 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.51 -154.04 8.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.71 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.365 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -121.63 135.57 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 m -104.52 153.86 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 82.5 p -150.63 160.81 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.807 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 71.1 m -144.17 138.13 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 167.8 138.23 2.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.8 m -162.41 137.7 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.0 m -169.01 172.53 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 172.33 135.09 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm -123.64 119.71 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.297 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.34 119.9 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -148.87 130.32 14.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -97.7 138.78 34.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.84 175.65 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.45 168.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.8 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.3 m170 -115.62 134.03 55.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.495 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.9 m -55.35 -31.33 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -84.73 -69.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 50.1 m -41.24 -47.22 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 7' ' ' HIS . 10.3 m -41.94 -42.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -111.54 40.26 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -126.79 125.05 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -130.05 27.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -99.07 124.67 44.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -63.44 -53.32 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -91.33 32.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.814 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.4 t -39.08 104.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.95 44.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 m -101.65 130.45 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -53.92 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 105.92 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 mm-40 -88.81 162.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 12.32 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -162.07 -53.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.5 mp -59.77 -77.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' GLU . 33.4 t -108.96 151.79 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.9 p -125.85 169.64 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.19 159.42 14.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 18' ' ' CYS . 10.2 mt -104.88 151.28 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -147.97 127.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.37 140.53 37.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -38.76 133.92 1.03 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.54 3.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' O ' HG22 ' A' ' 36' ' ' VAL . 74.9 mt -120.99 17.92 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 45.19 35.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 p -63.26 -26.13 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 50.94 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 134.09 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG12 HD22 ' A' ' 30' ' ' LEU . 57.3 t -105.47 116.81 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -134.58 157.34 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' LYS . 52.4 m-70 -59.96 130.8 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 74.2 p -34.44 -42.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 18.2 p -66.24 -46.58 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' HIS . 37.7 mmtt -56.55 -40.44 75.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -34.5 -59.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ALA . 33.0 t0 -36.73 -50.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -77.12 -53.0 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 44.8 t60 -40.42 -50.21 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -44.93 -39.74 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -53.99 -47.06 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.9 mp -80.92 -53.31 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.6 t -30.81 130.11 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.0 m-85 -44.52 -40.5 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' HG13 ' A' ' 58' ' ' VAL . 12.4 tp10 -42.95 135.88 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -58.56 128.41 37.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' NH2' ' A' ' 73' ' ' ARG . 14.6 m -143.79 143.52 23.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.88 61.7 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.54 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 40.9 t -43.78 138.7 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.807 HD12 HD11 ' A' ' 80' ' ' LEU . 15.3 mt -46.14 -37.7 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.817 ' ND2' ' HB3' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -94.58 33.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -60.72 -38.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -26.9 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.22 -37.75 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.72 37.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.23 112.65 58.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.74 26.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' CE1' ' A' ' 79' ' ' HIS . 50.1 m-85 -46.76 134.31 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -139.05 128.34 24.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -162.83 -177.63 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.42 152.37 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.686 ' NH2' HG11 ' A' ' 58' ' ' VAL . 23.9 ttm105 -63.44 -35.88 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -86.13 9.55 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -121.23 -21.08 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG12 ' HG ' ' A' ' 80' ' ' LEU . 42.2 t -48.72 -45.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -42.86 -64.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -40.0 -29.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' CYS . 17.1 t60 -89.79 -38.91 13.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 HD12 ' A' ' 61' ' ' LEU . 36.3 mt -48.42 -49.1 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.09 -32.9 49.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.2 ptm -110.72 12.47 22.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.525 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 11.4 t -80.39 135.55 53.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.817 ' HB3' ' ND2' ' A' ' 62' ' ' ASN . . . -56.43 -25.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' SER . 2.1 m -63.47 -17.96 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' SER . 20.2 m 35.11 35.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' SER . 94.4 p -94.9 167.24 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.95 167.9 4.14 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.287 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 m -86.87 81.24 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.3 p -134.0 138.87 45.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' -4' ' ' SER . 81.7 p -136.21 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' -5' ' ' SER . 79.1 p 35.53 42.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -125.05 129.4 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 t -139.84 153.83 47.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.92 0.39 . . . . 0.0 110.804 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.7 m -144.96 161.71 38.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -171.1 162.99 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtp -152.17 167.89 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -138.76 172.45 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -173.78 145.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.58 154.55 23.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.3 mt -105.57 173.03 6.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -74.45 162.37 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.806 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.6 m170 -118.57 129.12 55.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.533 ' C ' HG22 ' A' ' 11' ' ' VAL . 33.8 m -46.49 -36.46 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' A' ' 27' ' ' SER . 45.6 t60 -82.69 -69.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 28.7 m -41.38 -48.01 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 7' ' ' HIS . 18.1 m -41.84 -41.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -109.9 39.81 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -130.27 128.75 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 15' ' ' SER . 28.0 m -123.06 -43.43 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.1 t -44.81 125.29 4.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -28.72 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -89.76 36.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -72.1 135.3 46.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.8 mtm -133.99 58.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.9 m -101.44 133.29 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.61 119.89 12.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.733 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 123.06 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 2.1 mm-40 -120.18 155.45 55.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.21 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.13 -38.72 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -80.4 -75.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 9' ' ' HIS . 3.1 m -122.63 164.78 17.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.8 p -137.5 156.79 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.54 148.36 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.7 mt -95.14 142.82 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.76 138.83 47.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.82 140.84 24.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 t -40.15 133.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.72 7.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.6 mt -115.88 18.24 15.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.7 m 44.8 35.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.75 -24.1 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.04 53.73 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.26 129.78 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD22 ' A' ' 30' ' ' LEU . 62.1 t -103.17 117.4 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.69 ' C ' HD23 ' A' ' 30' ' ' LEU . 2.6 p90 -134.15 169.37 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 63.4 m-70 -70.41 126.27 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 84.2 p -34.59 -40.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 16.6 p -66.78 -46.39 75.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.1 mmtt -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -37.25 -55.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -42.41 -44.32 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -79.34 -48.41 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 31.8 t60 -46.15 -55.03 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -39.61 -42.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -54.66 -41.53 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.5 mt -82.84 -47.59 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.5 t -33.87 129.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.8 Cg_endo -69.71 -25.46 28.81 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.1 m-85 -74.21 -33.73 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.6 tm-20 -41.5 127.28 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -58.15 122.77 13.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.601 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.5 m -139.49 148.69 57.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.73 63.58 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 t -46.21 131.28 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.976 HD12 HD11 ' A' ' 80' ' ' LEU . 19.1 mt -35.67 -48.79 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -84.17 49.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.5 p -67.77 -44.61 77.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -33.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.74 -39.69 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.99 36.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.0 t -84.7 110.78 30.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.591 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 46.2 m-85 -75.03 132.46 41.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -136.35 127.34 27.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.89 -178.5 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -57.79 160.51 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG3' HG21 ' A' ' 58' ' ' VAL . 42.6 mtt-85 -69.16 -21.6 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -94.85 -16.95 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -90.06 -16.37 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 72' ' ' ALA . 4.4 m -55.48 -28.31 22.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.61 -58.0 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.76 -25.06 6.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 16.2 t60 -92.91 -31.1 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.976 HD11 HD12 ' A' ' 61' ' ' LEU . 14.2 mt -59.26 -39.84 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.58 -24.71 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 ptp -119.86 15.99 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' HIS . 3.4 t -84.54 139.63 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.96 -23.21 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' VAL . 2.4 m -87.64 40.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.6 m -35.46 -41.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 87' ' ' VAL . 86.4 p 39.83 43.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.83 145.86 21.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 93.33 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 t -77.15 -58.22 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.1 p -54.28 -44.24 71.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.7 p -164.13 124.95 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.367 . . . . 0.0 110.854 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 17.4 m -122.08 162.24 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -175.54 122.37 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.4 t -150.86 142.46 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.2 p -155.25 145.67 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -164.83 138.39 5.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mtt -141.99 119.3 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -141.43 148.04 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -129.32 173.97 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -123.57 134.14 53.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.09 178.4 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 13.8 pt20 -57.27 171.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.8 m170 -121.98 107.99 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -32.5 -48.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' OG ' ' A' ' 27' ' ' SER . 50.8 t60 -65.79 -67.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 m -44.18 -56.48 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 8' ' ' SER . 22.6 m -46.19 -26.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -118.92 36.22 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 t -134.76 117.22 15.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.28 31.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.8 t -104.39 141.29 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -85.92 -39.03 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -93.79 27.22 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -58.02 126.16 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.9 mmm -122.47 53.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.59 146.05 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -65.89 120.37 68.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 122.28 8.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 mm-40 -120.21 154.25 55.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 54.3 Cg_endo -69.72 78.66 0.98 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.4 -36.32 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 26' ' ' ILE . 3.1 mp -83.28 -71.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.464 ' OG ' ' CB ' ' A' ' 9' ' ' HIS . 3.5 m -126.71 164.69 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.9 p -136.36 160.0 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.78 157.71 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.56 HD22 HG12 ' A' ' 40' ' ' VAL . 9.0 mt -104.32 143.87 32.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.42 142.97 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.45 139.39 20.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -39.84 133.83 1.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -8.76 24.42 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.7 mt -109.7 18.44 20.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.1 m 44.01 35.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -25.29 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 48.99 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.75 130.06 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 30' ' ' LEU . 92.5 t -101.04 116.76 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.8 p90 -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' LYS . 70.3 m-70 -59.74 133.07 55.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.6 p -37.18 -43.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.7 p -69.18 -39.64 78.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 mmtt -67.54 -19.27 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -55.64 -39.98 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -60.38 -33.16 72.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' OE2' ' CD ' ' A' ' 45' ' ' LYS . 4.3 pt-20 -91.01 -27.17 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.544 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.3 t60 -66.63 -48.69 68.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -44.35 -29.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.58 -49.93 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.553 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.2 mp -82.47 -44.56 15.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 50.1 t -33.73 123.98 0.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.465 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.5 m-85 -47.39 -37.73 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -41.13 138.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -64.14 125.19 23.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 73' ' ' ARG . 13.4 m -142.86 145.18 32.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.87 61.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.0 t -40.54 130.92 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 80' ' ' LEU . 18.6 mt -38.59 -43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -93.65 40.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.4 t -59.73 -47.07 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -41.76 -46.68 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -53.28 -41.81 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.17 48.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -108.42 110.74 61.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -15.77 37.34 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.613 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.6 m-85 -54.01 132.26 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -136.53 128.91 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.95 177.05 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -57.88 134.52 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.1 ttm105 -39.46 -33.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -78.35 -42.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -60.24 -31.58 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 73' ' ' ARG . 3.0 m -42.54 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.7 -38.64 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.613 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 26.6 t60 -67.4 -49.96 61.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 61' ' ' LEU . 21.6 mt -46.12 -37.35 6.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.07 -42.67 73.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -113.33 23.27 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.9 t -82.33 133.3 50.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.42 2.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -56.72 -31.84 64.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.516 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.8 m -59.26 -13.89 9.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 87' ' ' VAL . 8.2 m 28.13 50.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -111.1 105.36 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.88 169.61 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.73 10.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -58.32 154.35 13.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -43.11 -53.76 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 45.6 m -143.89 170.66 15.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 55.8 m -139.69 171.76 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -150.4 130.07 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.1 m -134.29 145.64 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.4 t -127.19 158.48 36.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -153.28 148.73 19.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -170.76 159.39 6.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -90.43 83.61 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -148.56 108.41 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.95 133.28 56.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.64 -177.72 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -118.41 175.29 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 49.1 m170 -105.34 114.89 29.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -55.57 -56.87 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 33.0 t60 -48.48 -62.63 1.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -59.72 -34.13 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.57 -27.65 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -130.36 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -112.3 91.49 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.22 29.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.8 t -104.4 129.02 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -76.18 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -81.19 40.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.769 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.84 131.51 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -126.55 39.55 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.2 m -83.93 140.1 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -54.62 119.28 20.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -80.63 165.26 47.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.85 10.25 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.622 2.215 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.3 -56.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -48.57 -62.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.518 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 40.7 t -124.44 173.45 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 11.3 p -147.02 168.57 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.25 141.81 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.8 mt -88.95 140.89 28.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -134.38 144.66 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.07 142.61 23.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.9 t -43.65 134.23 3.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.2 mt -110.49 19.59 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 41.65 36.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -63.73 -26.98 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.89 49.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.7 136.81 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 86.9 t -107.57 117.47 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -132.84 158.2 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' LYS . 49.6 m-70 -62.46 133.85 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.818 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -38.25 -39.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.78 -41.0 88.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.8 mmtm -66.17 -41.01 90.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -32.19 -59.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.4 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 16.5 mt-10 -81.72 -52.07 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.695 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 33.7 t60 -39.41 -53.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -38.36 -42.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.74 -52.66 55.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.593 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.8 mp -75.02 -46.81 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.0 t -32.54 131.32 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.61 2.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 5.8 m-85 -53.28 -41.86 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.13 139.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.48 127.28 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.848 HG21 ' HG2' ' A' ' 73' ' ' ARG . 22.8 m -139.5 146.14 46.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.06 58.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.4 t -44.41 138.34 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.064 HD12 HD11 ' A' ' 80' ' ' LEU . 13.9 mt -42.15 -46.38 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.19 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 t -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -38.57 -53.8 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -49.77 -42.72 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.76 53.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.9 t -101.03 109.13 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.8 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 53.1 m-85 -78.36 128.25 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 p -133.66 131.91 40.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.27 177.67 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -62.58 147.51 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.848 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.1 mmt85 -58.24 -39.69 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -78.2 10.12 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -123.87 -30.2 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -41.33 -44.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.55 -40.98 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.2 t60 -64.53 -48.34 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.064 HD11 HD12 ' A' ' 61' ' ' LEU . 58.4 mt -45.89 -35.24 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.66 -47.16 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -108.83 25.37 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.19 137.47 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -48.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.49 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 87' ' ' VAL . 24.4 p -60.44 -16.25 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 87' ' ' VAL . 20.6 m 32.06 44.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -131.72 -50.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -45.84 127.89 9.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -6.59 19.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.306 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t -110.69 150.27 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -107.72 -55.11 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 98.3 p -173.54 134.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.3 t -169.41 155.02 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -179.63 141.87 4.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.0 m -161.75 146.68 13.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 54.2 p -171.15 141.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -169.31 161.53 35.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ptp -163.46 139.68 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -132.75 129.59 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -150.15 131.86 14.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.17 127.85 33.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.5 pt? -98.51 -178.82 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -76.12 158.09 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.913 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.0 m170 -114.76 112.86 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 18.3 t -43.94 -34.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 47.8 t60 -77.8 -70.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -42.64 -54.23 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.913 HG22 ' O ' ' A' ' 7' ' ' HIS . 20.8 m -43.58 -33.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.5 p30 -116.05 38.59 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.1 t -131.05 126.2 35.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.6 -39.35 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -44.7 122.33 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -72.71 -25.58 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -94.83 32.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.99 122.09 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -116.93 40.3 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.1 m -81.08 149.06 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -66.89 120.79 74.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 106.63 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -96.13 159.35 32.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 10.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.63 -56.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.5 mp -54.35 -77.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 9' ' ' HIS . 23.1 t -120.57 159.29 25.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.8 p -121.57 171.2 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.76 147.65 49.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 18' ' ' CYS . 10.6 mt -94.02 143.6 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.34 150.12 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.51 143.16 17.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 t -40.68 133.98 1.67 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.66 5.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.617 2.211 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.0 mt -117.54 19.69 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 24.0 m 44.36 36.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.96 -25.43 68.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.39 49.32 1.57 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.8 136.09 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.76 117.38 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 p90 -133.91 162.1 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 76.0 m-70 -63.82 129.2 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 70.6 p -34.08 -44.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 21.6 p -65.82 -46.56 78.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' HIS . 15.1 mmtp -56.85 -39.5 74.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -33.13 -60.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ALA . 5.9 m-20 -35.89 -49.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -77.73 -49.82 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 47.3 t60 -43.34 -56.51 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -37.83 -44.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.67 -51.42 38.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 52' ' ' LEU . 3.2 mp -77.59 -48.73 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' LEU . 54.1 t -32.59 131.42 0.32 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 -34.23 14.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.3 m-85 -64.65 -40.18 94.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.51 135.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -64.99 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG21 ' HG2' ' A' ' 73' ' ' ARG . 12.2 m -132.26 146.52 61.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.453 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 14.8 t -42.8 136.3 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 80' ' ' LEU . 13.4 mt -42.35 -45.13 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.809 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.7 p30 -88.19 35.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.1 t -58.62 -46.06 87.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -43.09 -39.13 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.78 -38.32 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.59 36.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.8 t -93.21 111.03 50.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -18.04 37.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 52.5 m-85 -53.42 129.59 32.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -135.6 128.51 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.25 177.79 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 147.08 53.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.0 mmm180 -53.84 -40.03 66.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -78.79 9.65 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.6 mmmp? -122.99 -32.14 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' LYS . 15.6 t -36.07 -51.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.76 -65.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -38.66 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.581 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 12.8 t60 -90.21 -36.19 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 61' ' ' LEU . 15.5 mt -49.58 -49.66 45.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.48 -35.53 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ptm -107.54 13.63 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.9 t -79.37 135.24 57.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.809 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.45 -25.81 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.8 m -71.73 -12.04 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' VAL . 30.5 m 31.69 47.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -104.31 111.75 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 145.6 19.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.77 48.48 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.377 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 p -118.9 147.03 44.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -77.88 91.72 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 25.2 m -153.88 169.41 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.4 m -156.2 173.9 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -122.44 -166.63 12.79 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m -166.58 163.97 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.7 t -169.23 135.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -148.26 147.45 18.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mmt -125.53 128.5 48.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -126.44 145.07 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -174.03 148.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -134.0 140.07 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -114.31 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -59.69 174.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.871 ' O ' HG22 ' A' ' 11' ' ' VAL . 23.1 m170 -118.52 123.68 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 11' ' ' VAL . 72.1 m -48.73 -33.47 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 29.5 t60 -80.22 -68.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.6 m -42.2 -52.77 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.2 m -43.29 -41.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -107.14 37.77 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -129.12 134.59 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.3 -39.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -44.7 132.27 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.68 -41.08 46.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.64 ' NH2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.89 43.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -79.03 107.33 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.9 mtm -103.44 43.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ARG . 58.3 m -83.14 119.53 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 57.7 ttp85 -37.59 117.72 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 tt0 -102.69 141.07 21.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.36 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.36 -36.19 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.3 mp -93.54 -58.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.555 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.6 p -143.27 148.25 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.5 p -110.61 164.4 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.8 155.26 27.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 18' ' ' CYS . 14.0 mt -91.4 144.23 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -139.46 136.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.84 142.59 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 t -45.83 134.3 6.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -4.99 15.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.4 mt -111.05 16.19 21.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.1 m 43.88 33.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -62.63 -27.54 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.94 49.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.98 141.65 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.64 HG21 ' NH2' ' A' ' 17' ' ' ARG . 75.2 t -111.77 116.69 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 3.2 p90 -134.42 161.62 34.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.402 ' N ' HD23 ' A' ' 30' ' ' LEU . 65.9 m-70 -63.05 133.82 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 p -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 10.6 p -68.64 -46.58 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 37.7 mmtt -56.31 -34.23 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -40.54 -64.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' ALA . 65.8 m-20 -34.12 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -89.26 -47.95 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 14.2 t60 -52.89 -52.32 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.6 ptm180 -38.46 -41.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 58.8 mt -56.55 -42.51 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.7 mt -82.45 -43.09 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -31.02 128.17 0.28 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.16 37.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -87.94 -42.19 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 58' ' ' VAL . 17.0 tp10 -39.01 135.39 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -62.58 124.05 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.62 HG21 ' CG ' ' A' ' 73' ' ' ARG . 15.0 m -133.23 145.6 57.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.4 t -42.69 135.82 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 80' ' ' LEU . 19.8 mt -41.3 -49.0 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -82.64 44.05 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -57.92 -44.47 86.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.65 -54.62 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -47.56 -43.67 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.35 39.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 t -83.17 110.88 26.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.79 -4.58 14.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -72.16 130.49 40.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -135.39 131.1 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.14 177.63 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -57.35 160.01 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.62 ' CG ' HG21 ' A' ' 58' ' ' VAL . 67.6 mtp85 -71.84 -38.26 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -77.19 3.53 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -23.0 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' ALA . 6.9 t -45.09 -44.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -44.39 -63.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -44.93 -45.21 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -61.65 -47.38 85.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 61' ' ' LEU . 93.8 mt -46.91 -37.13 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.73 -41.76 78.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ptm -113.72 23.37 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.26 139.52 45.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -42.97 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.96 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 87' ' ' VAL . 3.6 m -69.84 -13.96 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 87' ' ' VAL . 23.7 m 29.76 49.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 p -149.34 118.74 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.38 130.25 2.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.7 p -143.71 169.12 18.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -98.58 -45.61 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.9 m -162.46 127.4 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.3 m -159.78 161.15 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.25 118.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 88.8 p -131.11 139.18 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.9 t -168.53 126.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -151.98 176.4 30.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 144.55 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -139.53 141.68 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -137.93 114.05 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -109.69 127.53 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.83 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 47.1 mt-30 -52.92 165.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 11' ' ' VAL . 27.8 m170 -120.74 126.04 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' HG22 ' A' ' 11' ' ' VAL . 56.8 m -47.79 -35.86 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 42.4 t60 -79.68 -69.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 33.6 m -43.38 -52.12 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 7' ' ' HIS . 34.6 m -44.15 -35.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -115.97 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -126.3 97.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -99.46 31.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -104.61 149.45 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -89.59 -60.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.618 HH12 HG21 ' A' ' 40' ' ' VAL . 13.6 mmt-85 -81.94 40.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.869 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -60.3 122.99 15.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.47 47.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -91.65 132.81 36.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -51.29 119.17 12.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.37 1.65 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -93.16 163.89 23.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.66 1.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.04 -54.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 27' ' ' SER . 1.9 mp -50.74 -69.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 26' ' ' ILE . 39.8 t -127.54 159.3 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 13.4 p -124.79 167.87 14.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.34 150.28 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 18' ' ' CYS . 11.1 mt -94.42 151.74 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -140.65 138.46 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.2 53.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.03 136.94 95.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -29.4 23.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.4 mt -91.32 14.89 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 42.08 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -67.02 -24.97 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 56.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.76 146.54 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.618 HG21 HH12 ' A' ' 17' ' ' ARG . 52.1 t -118.23 118.44 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 p90 -131.79 162.82 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 74.6 m-70 -68.22 131.32 45.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 92.6 p -37.66 -37.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -68.42 -42.7 78.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' HIS . 27.1 mmtt -69.27 -28.9 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -35.48 -65.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.1 t0 -34.12 -51.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.37 -37.41 77.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.731 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 73.2 t60 -53.4 -38.3 63.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -55.83 -13.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.96 -21.15 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.2 mm? -102.4 -47.16 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 8.4 t -32.45 118.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.97 22.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 3.3 m-85 -88.37 -41.73 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -33.46 138.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 23.1 ttm180 -64.79 105.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 56' ' ' GLU . 11.4 m -117.83 143.89 33.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.72 146.12 59.47 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' PRO . 28.1 t -35.56 137.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -49.55 -36.32 23.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -93.35 40.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 p -51.07 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -52.68 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -51.01 -42.61 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.28 46.03 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.69 109.68 31.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.48 3.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 55.0 m-85 -81.09 141.5 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.4 p -142.14 130.55 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.33 176.03 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -58.85 131.28 50.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -43.78 -24.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.58 -37.85 16.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -87.3 26.3 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 72' ' ' ALA . 34.0 m -83.91 -36.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -55.32 -55.58 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -46.69 -26.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.4 t60 -92.69 -38.94 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.625 HD11 HD12 ' A' ' 61' ' ' LEU . 31.4 mt -51.77 -46.21 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 82' ' ' MET . 16.2 pt-20 -56.21 -39.58 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.443 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 15.5 ptp -106.21 18.3 22.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' HIS . 4.1 t -86.74 138.79 33.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.31 6.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.14 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' VAL . 16.9 p -60.18 -19.14 52.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 35.0 m 35.92 44.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -111.53 143.28 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -72.74 126.63 10.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.07 3.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 127.35 51.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 m 56.9 41.87 27.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 10.3 t -151.13 116.81 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 27.5 p -119.04 140.08 50.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 176.14 129.8 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.1 p -133.77 176.57 8.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.9 p -135.35 157.79 46.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 149.73 124.93 1.31 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mmm -132.38 129.26 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -144.17 137.99 27.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -142.38 146.63 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.78 152.7 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.9 mt -115.92 175.14 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.58 153.32 19.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.795 ' O ' HG22 ' A' ' 11' ' ' VAL . 31.3 m170 -116.18 123.33 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' HG22 ' A' ' 11' ' ' VAL . 35.3 m -48.13 -34.74 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 53.0 t60 -78.82 -69.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 36.5 m -44.73 -53.99 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.2 m -44.31 -36.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.44 38.23 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -126.29 97.54 5.11 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -98.63 27.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -102.68 155.32 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -100.86 -53.54 3.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -83.97 32.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.63 134.83 56.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 mtm -127.93 57.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -97.2 132.48 42.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -49.09 119.99 9.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.5 Cg_endo -69.84 107.57 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.67 162.63 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.81 6.95 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.04 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -46.79 -68.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 13.8 p -137.95 164.43 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.2 p -125.49 175.28 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -63.82 159.57 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 42' ' ' HIS . 13.9 mt -104.99 143.57 33.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -142.67 138.28 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.23 148.71 42.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 24.5 t -53.04 134.23 49.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.18 17.99 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.6 mt -106.33 13.91 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 23.2 m 45.32 36.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.1 p -67.36 -23.54 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.14 55.99 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.8 135.06 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 30' ' ' LEU . 93.4 t -105.51 117.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.755 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.16 149.38 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' HA ' HD23 ' A' ' 30' ' ' LEU . 74.8 m-70 -50.9 133.51 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 90.2 p -35.08 -45.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.6 p -64.37 -46.38 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 36.2 mmtt -63.83 -9.79 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -67.38 -16.42 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.56 -30.81 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.81 -30.97 14.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.755 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 16.3 t60 -62.22 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.16 -27.63 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.14 -47.07 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' H ' HD12 ' A' ' 52' ' ' LEU . 2.2 mp -85.23 -40.88 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 52.5 t -32.94 119.94 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.5 Cg_endo -69.75 -15.06 36.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.41 -23.54 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.7 tm-20 -53.59 131.3 38.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -58.81 119.89 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.79 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.2 m -133.71 147.4 64.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.6 Cg_endo -69.79 148.24 64.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 3.7 t -49.36 131.17 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 80' ' ' LEU . 13.0 mt -34.72 -50.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.997 ' ND2' ' HB3' ' A' ' 85' ' ' ALA . 1.7 p-10 -85.11 43.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' CYS . 28.7 t -65.62 -42.55 91.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.31 -43.04 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.19 -34.76 68.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.12 38.0 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.89 109.87 44.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.51 36.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 58.8 m-85 -57.22 125.85 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.7 p -134.73 127.46 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 -178.62 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -66.33 150.55 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.79 ' HG3' HG21 ' A' ' 58' ' ' VAL . 23.7 mtp180 -57.85 -37.65 74.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -80.29 9.05 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 1.2 mptm? -123.67 -25.71 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -43.98 -45.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.98 -66.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.75 -49.92 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.661 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 27.0 t60 -61.19 -49.65 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 61' ' ' LEU . 39.7 mt -46.71 -36.58 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.24 -35.57 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.8 18.92 14.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 24.7 t -81.64 129.59 64.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.997 ' HB3' ' ND2' ' A' ' 62' ' ' ASN . . . -57.5 -20.17 29.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -92.48 41.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 88' ' ' SER . 26.0 m -33.12 -42.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 87' ' ' VAL . 2.1 t -168.23 135.1 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.95 -142.11 5.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.84 5.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -49.34 94.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.9 t -171.6 142.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 74.6 m -114.6 -60.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.1 m -173.36 156.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 173.19 95.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 37.9 m -154.91 152.37 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.796 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.1 p -171.15 132.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -157.86 119.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mtt -134.53 120.9 20.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.718 0.294 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -147.35 148.99 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -119.13 132.86 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.55 162.38 29.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -100.22 169.99 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 9.5 pt20 -85.13 -179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.927 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.2 m170 -122.47 124.03 42.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 25.0 p -44.31 -37.92 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 60.1 t60 -76.95 -69.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -41.45 -55.97 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.1 m -42.79 -36.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.8 p30 -115.14 39.95 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.42 118.79 27.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 15' ' ' SER . 34.5 m -110.09 -39.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 14' ' ' VAL . 42.6 m -44.87 125.56 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -72.74 -50.13 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -81.02 41.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.58 126.41 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mmt -125.29 59.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -100.78 139.8 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.67 115.85 7.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.641 0.734 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.3 mm-40 -94.79 162.8 24.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 8.16 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.74 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.7 mp -48.78 -70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.4 p -134.57 165.33 25.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.804 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.2 p -129.97 173.87 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.3 163.43 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.2 mt -112.57 143.62 43.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.27 147.33 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.69 143.61 23.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.7 133.83 13.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.43 12.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 70.8 mt -114.17 17.32 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 43.94 35.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 1.6 p -65.53 -20.68 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.03 46.55 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.54 120.66 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 30' ' ' LEU . 91.5 t -94.0 116.66 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p90 -134.41 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' N ' HD23 ' A' ' 30' ' ' LEU . 76.8 m-70 -63.12 128.87 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' HIS . 24.6 p -33.31 -44.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.4 p -65.47 -47.7 75.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.3 mmmp? -60.72 -28.59 68.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -45.53 -56.22 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 32.6 m-20 -44.93 -29.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' HD23 ' A' ' 51' ' ' LEU . 6.0 mp0 -93.88 -34.9 12.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.696 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 5.0 t60 -69.38 -17.24 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HD22 ' A' ' 51' ' ' LEU . 6.4 ptm180 -77.96 -8.32 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.2 mm? -85.68 -30.64 23.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.9 mp -102.22 -35.58 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 53.9 t -33.63 131.7 0.38 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 5.9 m-85 -48.39 -39.87 23.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -38.79 138.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.462 ' N ' ' OE2' ' A' ' 56' ' ' GLU . 20.7 ttm105 -68.3 112.0 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.594 HG21 ' CG ' ' A' ' 73' ' ' ARG . 12.4 m -121.31 146.88 45.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.88 58.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.6 t -39.41 136.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.868 HD12 HD11 ' A' ' 80' ' ' LEU . 36.9 mt -49.04 -34.12 12.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -94.47 33.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 p -46.12 -45.84 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.03 -50.56 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.31 -42.03 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.36 41.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -87.54 109.8 29.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.71 -9.19 25.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -67.36 130.86 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -132.0 133.46 44.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.542 ' HG2' HG22 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.82 173.2 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -61.91 146.52 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.594 ' CG ' HG21 ' A' ' 58' ' ' VAL . 55.4 mtt-85 -56.25 -43.7 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -76.89 7.85 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -121.53 -25.11 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 71' ' ' MET . 67.7 t -53.29 -45.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -35.94 -46.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.91 -49.38 68.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -56.47 -36.94 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 HD12 ' A' ' 61' ' ' LEU . 40.7 mt -56.31 -34.45 66.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.08 -36.94 85.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.7 20.53 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.2 t -94.08 134.87 25.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.6 0.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.51 -26.2 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t -82.94 37.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 88' ' ' SER . 29.7 m -41.78 -40.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 87' ' ' VAL . 9.8 t -62.8 120.55 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.52 -169.35 32.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.81 20.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -52.93 91.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' GLY . 39.2 t -52.05 -45.84 64.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.806 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.3 m170 -107.99 108.81 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -37.11 -44.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 28.8 t60 -68.71 -66.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.3 m -44.51 -56.34 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.76 HG23 HD22 ' A' ' 12' ' ' ASN . 21.4 m -46.88 -26.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.76 HD22 HG23 ' A' ' 11' ' ' VAL . 2.0 m-80 -119.98 36.02 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -128.55 100.48 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 15' ' ' SER . 34.6 m -86.91 -42.71 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' VAL . 39.7 m -45.92 122.57 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -74.75 -36.54 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 5.0 ttt85 -86.44 32.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.34 135.7 57.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.2 mtt -129.94 48.76 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 128.16 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -43.55 120.5 3.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.56 1.52 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' SER . 12.3 tp10 -102.02 140.29 21.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.683 0.754 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.73 88.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.54 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 130.41 -29.44 3.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.65 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.14 -58.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 6.6 p -142.14 144.99 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.2 p -109.13 167.01 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 146.45 54.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 18' ' ' CYS . 12.8 mt -85.34 149.06 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -140.58 139.91 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.45 141.22 26.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.21 133.88 3.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -3.56 12.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 59.3 mt -116.29 18.44 15.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.1 m 43.34 36.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.28 47.31 1.45 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.95 142.52 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.14 117.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -134.32 166.13 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' N ' HD23 ' A' ' 30' ' ' LEU . 70.0 m-70 -72.77 135.47 45.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.9 p -41.03 -39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.72 -39.92 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -70.9 -34.67 71.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -34.67 -61.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -42.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 45' ' ' LYS . 50.7 mm-40 -79.05 -43.85 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 34.2 t60 -51.5 -47.42 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -44.95 -43.18 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.6 mt -50.2 -41.5 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' CYS . 4.6 mp -85.79 -51.4 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LEU . 45.3 t -33.06 126.3 0.4 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 m-85 -46.31 -41.43 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.8 tm-20 -34.16 128.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -58.81 115.34 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG21 ' HD2' ' A' ' 73' ' ' ARG . 27.3 m -129.72 143.2 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.96 69.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' SER . 52.9 t -44.05 131.03 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.79 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -39.76 -36.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -94.18 42.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' CYS . 62.5 p -58.32 -29.08 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.26 -46.08 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -55.64 -42.35 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.1 45.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -90.15 108.57 27.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.4 Cg_endo -69.79 -0.02 6.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 73.4 m-85 -78.7 146.8 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -144.3 133.81 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.88 178.75 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -61.39 149.67 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 58' ' ' VAL . 10.3 tpt180 -56.31 -29.5 61.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -85.89 -31.82 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -87.03 23.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 72' ' ' ALA . 32.9 m -80.56 -34.47 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -59.99 -66.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' ALA . 12.4 pt-20 -36.29 -35.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 38.6 t60 -83.42 -42.54 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 61' ' ' LEU . 27.7 mt -55.74 -33.26 64.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.58 -47.87 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.41 ' O ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -104.84 23.37 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -89.56 138.57 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.97 10.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 40.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.807 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.646 ' O ' HG13 ' A' ' 11' ' ' VAL . 32.4 m170 -118.52 114.56 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.695 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 m -46.42 -57.83 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 23.6 t60 -52.48 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.3 m -48.78 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' SER . 10.5 m -48.15 -24.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -118.0 34.51 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -129.67 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.2 m -94.99 31.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -103.94 146.48 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -94.22 -47.74 6.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -85.0 27.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.63 128.57 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -128.05 52.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.72 146.45 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -61.51 120.38 55.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.7 Cg_endo -69.77 111.64 2.87 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mm-40 -101.71 162.5 20.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 8.13 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.24 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -49.12 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.6 p -129.49 169.14 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -132.29 178.91 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 1.3 m-20 -66.19 156.09 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 40' ' ' VAL . 10.6 mt -102.22 142.73 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.86 137.05 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.6 142.34 28.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 t -42.18 133.85 2.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.02 6.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.1 mt -118.6 19.75 13.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.3 m 43.31 36.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.87 -26.68 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.41 2.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.07 134.56 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 HD22 ' A' ' 30' ' ' LEU . 88.9 t -105.81 117.36 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -133.95 163.58 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.5 m-70 -67.26 127.24 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' HIS . 51.9 p -34.04 -43.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.8 p -62.02 -46.42 89.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' HIS . 11.6 mmmt -64.88 -35.04 79.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -34.46 -50.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -49.18 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.98 -50.76 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 48.5 t60 -45.6 -55.28 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -39.56 -41.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.77 -45.7 78.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.5 mt -80.06 -50.22 10.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.7 t -32.86 132.84 0.31 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.9 m-85 -43.83 -36.48 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.4 tt0 -37.0 135.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -56.08 125.16 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 56' ' ' GLU . 20.8 m -140.79 143.29 31.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.48 69.48 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' LEU . 12.0 t -54.8 131.85 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -37.78 -45.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -80.68 44.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.1 p -60.42 -44.62 95.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -43.61 -54.92 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -49.08 -42.77 39.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.94 49.35 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.2 t -91.84 109.32 36.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 40.2 m-85 -78.92 121.46 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.6 p -126.12 130.85 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.21 -175.53 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -63.01 152.75 36.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -66.99 -33.33 75.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.79 10.17 19.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -119.92 -22.46 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.3 t -54.62 -47.11 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -34.6 -46.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.35 -49.01 59.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 37.3 t60 -56.01 -33.81 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 55.7 mt -60.77 -34.46 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.99 -41.77 92.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -112.4 22.83 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -84.1 139.34 39.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.29 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.99 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.769 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.857 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.7 m170 -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.2 t -44.65 -34.88 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 39.3 t60 -78.79 -69.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 41.1 m -42.32 -53.95 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 7' ' ' HIS . 21.8 m -41.91 -38.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -111.7 39.87 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.34 118.62 19.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.54 -9.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -71.23 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.34 -41.78 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 40' ' ' VAL . 5.3 mmp_? -83.75 32.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.08 127.58 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mtt -124.13 55.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -100.64 131.5 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -49.1 120.17 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 114.31 3.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -102.16 162.6 19.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.51 -58.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -48.33 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.593 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 26.4 p -131.67 164.68 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.2 p -124.62 175.51 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.13 157.43 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -103.38 151.57 22.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -146.62 138.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.4 139.87 22.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -43.16 133.62 3.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.9 mt -108.35 16.03 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 35' ' ' LEU . 15.5 m 45.72 32.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.9 p -62.27 -28.56 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.39 46.91 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.19 128.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.683 HG21 HH21 ' A' ' 17' ' ' ARG . 46.5 t -102.61 117.15 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.707 ' C ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -133.62 169.38 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.1 m-70 -71.44 128.0 34.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' HIS . 26.3 p -34.95 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 p -74.68 -46.53 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' HIS . 41.4 mmtt -60.0 -25.73 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -45.61 -64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.5 p-10 -33.53 -37.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ALA . 54.0 mm-40 -85.5 -41.16 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 56.9 t60 -60.49 -50.38 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 2.3 ptp180 -46.05 -30.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.54 -37.94 77.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 16.7 mt -85.14 -53.52 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.9 t -32.19 129.28 0.32 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' ASN . 54.1 Cg_endo -69.71 -39.35 6.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.89 -45.9 71.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.0 tp10 -43.24 139.06 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -60.91 125.89 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 71' ' ' MET . 32.6 m -135.74 145.98 55.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.731 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 146.83 60.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.09 131.39 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.954 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -39.22 -42.69 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.64 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 7.7 p30 -88.64 46.19 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -59.14 -42.54 90.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -47.68 -43.28 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.48 -40.44 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.33 49.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -94.78 110.28 48.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -69.94 145.03 52.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 p -146.89 129.12 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -159.15 -179.52 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.21 148.54 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.48 -32.85 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' OD1' ' HB1' ' A' ' 72' ' ' ALA . 21.1 p-10 -85.8 10.51 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -122.56 -28.8 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -45.73 -49.4 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -32.07 -66.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -46.04 -47.49 16.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -59.94 -47.95 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.954 HD11 HD12 ' A' ' 61' ' ' LEU . 43.6 mt -46.92 -35.93 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.29 -45.3 88.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -108.84 24.71 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.29 137.07 32.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -46.03 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -61.99 -22.29 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 m170 -118.47 112.97 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -38.65 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 16.8 t60 -72.41 -68.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 m -44.58 -58.14 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 7' ' ' HIS . 31.0 m -47.53 -24.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -122.81 35.47 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -123.77 125.04 44.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.72 30.28 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 t -104.01 123.47 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.77 36.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' HD11 ' A' ' 30' ' ' LEU . 2.7 t -56.02 132.42 49.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.8 mmm -128.97 54.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -98.1 126.51 43.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -41.92 116.43 1.67 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 109.63 2.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.5 mm-40 -103.18 158.32 32.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 10.2 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.46 -58.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -54.33 -75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 2.1 p -134.04 168.82 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.1 p -124.69 -174.98 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.47 158.93 34.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.1 mt -100.4 148.73 24.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -144.48 141.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.53 143.55 30.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 48.8 t -50.02 134.46 22.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.2 18.01 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.579 ' O ' HG22 ' A' ' 36' ' ' VAL . 68.0 mt -107.94 14.49 25.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 44.81 34.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 p -65.21 -24.87 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.27 54.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.16 137.13 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG12 HD22 ' A' ' 30' ' ' LEU . 38.8 t -107.4 116.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.761 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -133.95 159.99 39.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' LYS . 83.7 m-70 -62.13 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' HIS . 82.3 p -35.56 -40.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.7 p -66.02 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.1 mmmp? -61.37 -35.98 78.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -33.57 -51.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.72 -51.27 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.59 -47.83 37.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 30.9 t60 -46.66 -55.39 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 72.0 mtt180 -35.81 -45.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.23 -45.15 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . 5.0 mt -79.76 -42.87 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.3 t -34.01 127.69 0.45 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 53.9 Cg_endo -69.71 -15.48 37.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.4 m-85 -85.77 -44.07 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.3 tp10 -35.03 133.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.44 125.88 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG21 ' CG ' ' A' ' 73' ' ' ARG . 15.9 m -142.3 146.74 40.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.5 62.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.5 t -39.9 137.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.007 HD12 HD11 ' A' ' 80' ' ' LEU . 19.0 mt -43.51 -43.77 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -93.39 39.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -59.37 -44.96 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.91 -47.62 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -51.52 -39.8 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.71 35.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -92.05 111.48 50.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.5 Cg_endo -69.77 -25.89 28.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -45.9 150.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -151.8 132.06 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.587 ' HG2' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.67 -177.63 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -66.22 142.43 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.674 ' CG ' HG21 ' A' ' 58' ' ' VAL . 32.0 mtp85 -49.15 -20.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -98.1 -23.23 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' ALA . 18.6 mmtp -84.21 -32.41 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.587 HG12 ' HG2' ' A' ' 71' ' ' MET . 26.9 m -43.25 -24.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.37 -68.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.94 -30.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -78.61 -45.72 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.007 HD11 HD12 ' A' ' 61' ' ' LEU . 21.2 mt -45.06 -37.46 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.11 -44.28 91.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -103.61 19.78 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.2 t -88.69 129.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.14 5.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.6 63.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.5 m170 -96.28 108.82 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 m -40.23 -43.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 27.9 t60 -68.76 -66.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 m -44.26 -55.61 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.746 HG23 HD22 ' A' ' 12' ' ' ASN . 22.0 m -44.76 -27.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.746 HD22 HG23 ' A' ' 11' ' ' VAL . 5.4 m-80 -121.01 38.28 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.96 109.99 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.59 -26.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -48.87 150.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -92.92 -46.22 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.83 38.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 104.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 mtt -100.77 40.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 m -80.82 128.43 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -47.78 119.99 7.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HG2' HD13 ' A' ' 26' ' ' ILE . 11.0 tp10 -102.15 140.01 20.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.72 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 133.44 -29.76 3.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.678 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.74 -56.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.53 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 12.5 t -138.97 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.505 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 29.8 p -108.81 166.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.8 138.72 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.725 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -75.28 157.67 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.3 pp -150.96 142.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.11 136.35 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.0 t -39.46 134.48 1.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.12 2.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 55' ' ' PHE . 25.1 mt -122.2 20.28 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 41.32 36.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 3.8 p -64.53 -26.72 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 44.81 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.45 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.623 HG12 HD22 ' A' ' 30' ' ' LEU . 59.6 t -97.92 117.64 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.725 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.9 p90 -133.95 170.78 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.3 m-70 -74.88 133.53 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.403 ' HB2' HG12 ' A' ' 31' ' ' ILE . 1.3 t -40.06 -42.46 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 p -62.76 -39.8 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.2 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -36.09 -52.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -44.19 -51.91 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.62 -50.8 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 46.7 t60 -43.85 -55.82 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' HIS . 38.9 mtt180 -38.26 -45.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.45 -43.17 64.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' CYS . 11.8 mt -81.08 -52.36 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.6 t -32.76 131.65 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -31.79 19.88 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.408 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 37' ' ' CYS . 10.9 m-85 -60.82 -37.4 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.2 tt0 -38.13 131.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.65 124.15 19.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' HG2' ' A' ' 73' ' ' ARG . 16.2 m -134.61 146.97 61.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.78 145.11 56.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.0 t -46.77 131.3 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 80' ' ' LEU . 12.5 mt -35.75 -43.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.447 HD21 ' CD2' ' A' ' 80' ' ' LEU . 1.8 m-80 -94.21 44.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' CYS . 37.6 t -68.47 -30.9 69.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.2 -53.74 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -54.14 -41.12 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.18 54.61 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -91.4 110.63 44.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -91.61 120.43 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 59' ' ' PRO . 17.9 p -127.2 132.97 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.178 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -157.22 179.48 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.64 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -60.99 156.89 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.678 ' HG2' HG11 ' A' ' 58' ' ' VAL . 7.9 mmt85 -63.62 -36.39 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -83.29 7.32 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 21.0 mmmt -115.35 -33.43 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 72' ' ' ALA . 13.3 m -48.8 -21.97 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.21 85.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.62 -46.36 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.52 -36.6 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 61' ' ' LEU . 19.3 mt -54.69 -36.81 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.53 -46.95 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -105.76 24.39 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.87 129.95 52.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -36.6 10.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.45 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.745 ' O ' HG13 ' A' ' 11' ' ' VAL . 43.6 m170 -71.45 119.6 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.08 -32.66 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 24.5 t60 -75.17 -67.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 63.6 m -45.45 -55.99 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 7' ' ' HIS . 31.2 m -46.88 -32.27 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.12 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -126.32 110.42 13.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 15' ' ' SER . 27.3 m -99.28 -40.47 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.1 m -44.97 123.49 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -73.55 -42.63 61.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -82.23 39.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -72.53 134.86 45.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 mtt -130.08 46.3 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -85.52 138.14 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -53.52 120.83 23.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 105.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.3 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.0 mm-40 -98.16 162.34 22.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.7 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 -59.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -48.96 -75.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 22.6 p -128.8 165.93 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.2 p -126.5 171.56 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.2 138.68 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 42' ' ' HIS . 8.7 mt -86.32 146.94 26.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.21 138.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.18 139.86 23.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.78 133.89 1.04 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.5 mt -111.45 20.03 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' LEU . 21.6 m 43.5 36.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -28.0 69.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 41.68 2.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.47 134.33 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -104.24 116.86 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 3.3 p90 -134.5 153.33 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 30' ' ' LEU . 79.5 m-70 -59.36 132.43 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 86.3 p -37.93 -42.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.67 -40.1 92.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 32.6 mmtt -66.24 -33.18 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -39.19 -63.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -33.89 -40.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.36 -49.02 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 67.9 t60 -50.27 -53.02 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -42.45 -37.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.59 -47.64 84.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.4 mt -78.78 -54.02 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.9 t -29.65 129.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.3 m-85 -42.71 -29.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.01 136.02 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.73 126.72 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' HE ' ' A' ' 73' ' ' ARG . 14.7 m -137.95 144.19 42.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 144.96 55.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 t -44.77 130.29 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -41.19 -38.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -87.13 39.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -58.34 -41.92 85.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -41.86 13.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.67 -37.32 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.52 32.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.6 t -80.32 112.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -24.63 29.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -49.01 139.61 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -144.25 124.68 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.65 -178.26 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 169.65 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.503 ' HE ' HG11 ' A' ' 58' ' ' VAL . 15.3 tpp85 -78.75 -36.13 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.58 6.93 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -123.0 -28.08 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.35 -26.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.6 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.33 -34.82 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' CYS . 14.7 t60 -69.44 -37.3 77.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 61' ' ' LEU . 85.7 mt -59.02 -30.78 68.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.0 -36.61 84.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.4 ' SD ' ' C ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -105.96 -3.66 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' HIS . 29.0 t -62.86 135.85 96.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -43.5 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.81 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.81 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.709 ' O ' HG13 ' A' ' 11' ' ' VAL . 33.4 m170 -118.72 122.87 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.718 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.3 t -44.21 -46.94 9.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 35.9 t60 -65.46 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 58.6 m -44.63 -56.63 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 8' ' ' SER . 16.1 m -47.28 -25.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -121.79 35.64 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.02 102.63 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -104.45 29.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -104.17 154.39 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -97.2 -53.82 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.58 29.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.57 117.89 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.5 mtt -115.79 59.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 m -101.67 143.91 31.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 9.2 ttm105 -59.11 121.1 52.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.69 2.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.14 161.85 24.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.58 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.81 -57.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.8 mp -46.74 -66.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 4.9 p -139.61 164.61 29.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.7 p -123.92 173.86 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.76 157.07 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.1 mt -103.15 141.26 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.31 155.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.13 138.93 14.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -39.67 133.7 1.33 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.15 6.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.3 mt -118.98 17.61 13.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 m 45.13 35.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -62.93 -27.33 69.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.13 48.87 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.7 134.98 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG12 HD22 ' A' ' 30' ' ' LEU . 94.7 t -106.31 117.42 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.704 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -133.8 167.46 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' LYS . 55.1 m-70 -70.39 129.62 39.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' HIS . 53.8 p -35.05 -40.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.9 p -67.3 -45.49 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' HIS . 25.4 mmtt -62.04 -33.01 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.74 -55.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -40.76 -51.78 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.1 -53.16 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.629 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t60 -42.39 -56.06 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -40.78 -37.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.45 -44.28 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.4 mt -81.24 -51.36 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.9 t -32.65 130.09 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -36.78 10.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -56.36 -32.26 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.2 tm-20 -42.71 127.55 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -62.38 113.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.608 HG21 ' HG2' ' A' ' 73' ' ' ARG . 27.7 m -122.1 146.42 46.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.63 57.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.2 t -44.84 122.14 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' CYS . 6.1 mt -33.38 -40.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.78 44.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' CYS . 24.9 p -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -48.67 -40.87 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.61 41.91 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 3.3 t -93.16 109.23 38.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.76 -10.26 28.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 20.9 m-85 -57.23 136.35 56.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 p -138.46 132.54 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.83 176.01 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -67.29 149.85 49.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.608 ' HG2' HG21 ' A' ' 58' ' ' VAL . 2.3 mtp85 -54.58 -38.5 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.12 10.3 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 3.9 mptp? -123.01 -27.75 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -43.62 -46.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.85 -63.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -45.25 -47.21 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.0 t60 -59.8 -50.1 75.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.7 mt -44.89 -34.82 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.83 -47.17 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.4 ptm -109.18 26.92 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.19 132.32 41.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.53 2.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.04 -30.68 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.77 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -122.32 112.49 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.3 t -34.73 -44.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 31.4 t60 -69.87 -68.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 m -43.93 -55.21 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' SER . 16.2 m -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' SER . 23.4 p30 -120.46 36.53 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -128.49 121.91 29.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.69 -25.25 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -54.89 123.9 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 18.7 ttp-105 -65.97 -56.62 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -79.66 43.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.27 117.9 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.9 ptp -109.65 41.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -87.84 136.67 32.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 21.5 ttm105 -58.42 119.76 38.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.07 6.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.4 mm-40 -104.3 162.77 18.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 14.4 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.91 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -53.43 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.527 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 43.6 t -129.67 157.75 41.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -122.41 172.48 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.12 150.9 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.5 mt -95.61 141.09 29.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.754 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.51 139.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.08 144.76 30.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -45.82 133.88 6.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.03 15.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' VAL . 52.0 mt -111.47 17.76 19.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.9 m 44.89 34.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 p -62.21 -25.91 68.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.05 46.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.45 140.66 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -110.03 117.19 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 49' ' ' HIS . 3.0 p90 -134.4 155.02 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' N ' HD23 ' A' ' 30' ' ' LEU . 69.4 m-70 -57.98 133.77 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.3 p -40.13 -42.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p -66.61 -36.75 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.9 mmtm -71.53 -36.01 70.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -33.21 -65.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -37.13 -48.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.83 -56.4 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 17.8 t60 -41.68 -55.48 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' HIS . 56.4 mtp180 -35.91 -44.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.91 -51.45 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.673 HD12 ' H ' ' A' ' 52' ' ' LEU . 2.8 mp -77.09 -42.54 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LEU . 48.7 t -33.76 129.54 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.29 37.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.3 m-85 -82.74 -49.06 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 8.7 tp10 -34.53 140.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -59.32 126.36 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 71' ' ' MET . 22.0 m -136.2 142.34 39.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 147.06 61.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.5 t -45.97 130.88 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.991 HD12 HD11 ' A' ' 80' ' ' LEU . 12.1 mt -38.84 -40.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 3.1 p30 -88.69 42.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -61.85 -18.03 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.53 -41.71 68.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -60.33 -37.37 80.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.27 47.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.436 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.0 t -97.56 109.44 50.47 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.42 32.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -62.07 136.64 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 p -140.74 131.11 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.25 178.87 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.461 ' HB3' ' CG ' ' A' ' 75' ' ' LYS . . . -58.19 151.22 19.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.857 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.0 tpt180 -60.69 -38.56 85.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 5.15 14.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 39.6 mmtm -113.14 -22.63 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' ARG . 27.6 m -59.17 -24.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.13 88.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.49 -46.54 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -61.97 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 61' ' ' LEU . 25.6 mt -43.82 -40.79 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.34 -42.6 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.85 18.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.54 137.52 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.74 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.97 -31.15 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HB2' HG12 ' A' ' 11' ' ' VAL . 3.8 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.833 0.349 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.929 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.7 m170 -97.35 133.22 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.513 ' C ' HG22 ' A' ' 11' ' ' VAL . 52.1 m -44.17 -33.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 20.1 t60 -86.93 -68.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 38.4 m -40.36 -42.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' HIS . 23.9 m -42.17 -42.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 11' ' ' VAL . 94.1 m-20 -113.42 40.13 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.75 121.29 36.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.65 -40.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -48.76 134.12 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -76.05 -43.17 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -82.1 41.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.862 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -66.9 115.57 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.1 ptp -106.44 45.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -90.83 135.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 -58.31 120.39 43.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 108.67 2.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.6 mm-40 -94.97 164.75 18.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.656 0.741 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 7.8 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -167.5 -53.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 1.9 mp -50.26 -62.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLU . 38.6 t -135.31 159.07 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.5 p -124.93 171.25 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.15 159.59 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.5 mt -102.1 147.46 26.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.64 156.54 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.65 142.96 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 49.3 t -47.03 135.23 8.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.56 8.71 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 81.6 mt -117.34 19.28 14.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 35' ' ' LEU . 28.9 m 42.44 37.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.34 -19.65 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.48 51.72 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.61 120.2 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 30' ' ' LEU . 87.4 t -92.24 116.93 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 p90 -134.19 169.75 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -70.81 140.2 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -50.68 -37.7 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.17 -35.5 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.4 mmtt -73.99 -34.55 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.58 -34.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.4 -45.1 95.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 49' ' ' HIS . 9.1 pt-20 -83.35 -37.81 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 43.4 t60 -56.46 -53.31 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -38.66 -35.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.43 -50.83 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' CYS . 6.3 mt -74.76 -46.44 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.4 t -31.56 126.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.96 23.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.2 m-85 -66.73 -39.86 88.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PHE . 5.9 tp10 -37.44 140.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -66.82 126.25 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.04 146.42 43.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.1 Cg_endo -69.72 145.1 56.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' PRO . 53.4 t -35.94 134.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' LEU . 17.6 mt -44.93 -37.07 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -95.96 43.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.7 p -56.57 -45.01 81.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -47.38 -46.25 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.05 -43.51 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.33 50.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.3 111.03 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.88 31.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.9 m-85 -57.05 132.38 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 p -134.59 127.41 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -176.51 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -62.41 145.55 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -56.71 -20.28 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -92.79 -30.43 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -76.83 -23.83 52.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 72' ' ' ALA . 3.3 m -42.7 -33.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.15 -41.37 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.7 t60 -68.61 -42.0 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 61' ' ' LEU . 22.9 mt -53.02 -32.46 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.22 -43.7 92.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ptp -112.47 25.11 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.0 t -85.87 134.76 38.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -38.79 7.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.64 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.785 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.876 0.37 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 11' ' ' VAL . 34.6 m170 -83.95 134.9 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -59.92 -67.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' CYS . 8.9 t60 -44.58 -49.01 10.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' CYS . 71.2 m -55.57 -64.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 8' ' ' SER . 29.8 m -47.97 -19.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -106.72 -16.46 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' HIS . 53.7 t -83.29 120.5 25.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.88 -39.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -46.09 161.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 25.0 ttm105 -100.99 -44.36 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.75 42.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -73.43 129.3 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -128.24 42.71 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -83.73 142.93 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.62 121.12 46.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.56 2.59 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -98.45 162.08 23.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.713 0.768 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 11.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -164.82 -55.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -53.49 -73.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 41.0 t -122.18 163.31 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 12.0 p -132.83 167.31 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.73 148.07 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 41' ' ' PHE . 6.7 mt -97.74 148.84 22.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -142.05 139.21 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' CYS . . . -78.68 137.39 19.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 5.8 t -35.91 134.16 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.88 19.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 55' ' ' PHE . 2.9 mp -112.05 21.23 16.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 42.18 37.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -63.57 -27.73 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.18 40.88 2.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.42 131.57 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG12 HD22 ' A' ' 30' ' ' LEU . 94.1 t -103.45 117.39 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.02 158.58 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.532 ' N ' HD23 ' A' ' 30' ' ' LEU . 61.2 m-70 -61.51 128.61 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 88.1 p -36.62 -39.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.0 p -69.23 -44.41 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 13.0 mmmt -64.91 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -39.86 -62.85 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 m-20 -37.39 -34.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -88.31 -39.29 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 52.7 t60 -58.52 -51.72 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -42.72 -39.72 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.1 -42.21 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt -85.06 -50.99 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.7 t -32.83 130.32 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 35' ' ' LEU . 7.3 m-85 -64.24 -37.13 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -44.06 139.19 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -64.74 124.77 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.859 HG21 ' HG3' ' A' ' 73' ' ' ARG . 23.2 m -135.72 148.27 64.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.4 Cg_endo -69.83 145.53 57.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' SER . 17.3 t -46.2 132.0 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -36.33 -52.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.686 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 12.2 p30 -83.54 38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' CYS . 41.9 t -58.03 -42.48 85.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -42.95 -44.64 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -55.15 -37.11 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 39.38 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.26 109.11 35.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -13.68 34.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -61.29 135.84 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 59' ' ' PRO . 21.9 p -139.55 131.81 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -160.36 -177.49 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -66.45 145.93 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.859 ' HG3' HG21 ' A' ' 58' ' ' VAL . 38.2 mtt-85 -53.64 -45.66 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.14 6.91 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -120.04 -23.8 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' ALA . 77.8 t -48.32 -46.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.07 -66.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -41.06 -44.14 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.94 -50.38 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 32.7 mt -41.28 -35.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.7 -46.42 84.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -103.38 22.13 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 t -88.8 133.64 35.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.686 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -52.66 -29.87 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.605 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.4 m170 -119.31 112.44 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 11' ' ' VAL . 26.5 t -37.5 -43.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 26.0 t60 -69.9 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.4 m -44.88 -54.57 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 8' ' ' SER . 15.1 m -46.79 -26.57 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' SER . 22.5 p30 -120.0 36.31 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.2 t -125.86 137.22 53.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.46 -32.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -47.4 121.96 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -63.21 -50.81 68.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.46 41.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -62.08 104.25 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.32 45.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -90.78 121.97 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -42.58 120.03 2.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' SER . 9.8 tp10 -99.95 140.79 21.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 53.7 Cg_endo -69.78 88.95 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.78 -36.25 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -92.49 -56.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 16.8 p -143.85 139.53 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.5 p -102.09 166.86 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.2 145.44 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.7 mt -78.81 143.35 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -137.0 130.84 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.12 147.51 47.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.4 t -54.72 134.44 64.94 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 73.6 mt -111.87 18.15 19.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 42.07 35.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.075 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 55' ' ' PHE . 1.2 p -65.04 -23.83 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 50.29 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.13 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.761 HG12 HD22 ' A' ' 30' ' ' LEU . 52.3 t -116.45 116.57 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.4 p90 -134.38 166.22 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' LYS . 51.3 m-70 -71.28 131.95 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' HIS . 64.3 p -33.87 -43.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.3 p -70.78 -46.24 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' HIS . 54.1 mmtt -58.86 -37.2 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -33.62 -45.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.048 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.44 -49.69 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 4.8 pt-20 -74.98 -31.34 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 39.9 t60 -58.66 -53.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 56' ' ' GLU . 71.2 mtt180 -37.61 -49.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -40.01 -48.42 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD12 ' H ' ' A' ' 52' ' ' LEU . 1.8 mp -86.74 -38.81 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -33.07 116.33 0.43 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 37' ' ' CYS . 3.6 m-85 -103.05 -48.31 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 1.6 pt-20 -34.91 146.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -65.76 128.74 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.82 HG21 ' HG2' ' A' ' 73' ' ' ARG . 17.0 m -141.92 148.99 51.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.8 Cg_endo -69.71 146.5 60.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 t -48.65 132.77 17.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 80' ' ' LEU . 55.3 mt -40.14 -44.22 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -82.88 40.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.6 p -59.32 -45.73 90.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -47.78 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -54.66 -35.07 63.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.98 45.66 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 5.1 t -94.65 109.38 43.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.74 -9.48 26.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 56.4 m-85 -68.51 138.85 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 59' ' ' PRO . 24.6 p -141.02 134.91 30.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.454 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.09 -175.24 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -63.83 144.69 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.82 ' HG2' HG21 ' A' ' 58' ' ' VAL . 7.3 mmt85 -51.23 -27.59 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.94 -14.74 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 28.8 mmtt -99.59 10.51 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 72' ' ' ALA . 18.8 m -78.52 -30.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -62.97 -64.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -41.49 -34.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 8.0 t60 -81.2 -37.08 29.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.615 HD11 HD12 ' A' ' 61' ' ' LEU . 17.9 mt -50.53 -44.66 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.22 -45.17 61.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -91.51 -12.01 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' HIS . 44.2 t -61.11 123.96 78.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -37.38 9.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.95 -27.01 50.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.742 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.8 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.3 m170 -115.62 134.03 55.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.495 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.9 m -55.35 -31.33 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -84.73 -69.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 50.1 m -41.24 -47.22 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 7' ' ' HIS . 10.3 m -41.94 -42.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -111.54 40.26 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -126.79 125.05 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -130.05 27.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -99.07 124.67 44.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -63.44 -53.32 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -91.33 32.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.814 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.4 t -39.08 104.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.95 44.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 m -101.65 130.45 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -53.92 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 105.92 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 mm-40 -88.81 162.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 12.32 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -162.07 -53.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -59.77 -77.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' GLU . 33.4 t -108.96 151.79 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.9 p -125.85 169.64 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.19 159.42 14.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 18' ' ' CYS . 10.2 mt -104.88 151.28 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -147.97 127.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.37 140.53 37.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -38.76 133.92 1.03 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.54 3.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' O ' HG22 ' A' ' 36' ' ' VAL . 74.9 mt -120.99 17.92 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 45.19 35.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 p -63.26 -26.13 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 50.94 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 134.09 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG12 HD22 ' A' ' 30' ' ' LEU . 57.3 t -105.47 116.81 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -134.58 157.34 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' LYS . 52.4 m-70 -59.96 130.8 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 74.2 p -34.44 -42.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 18.2 p -66.24 -46.58 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' HIS . 37.7 mmtt -56.55 -40.44 75.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -34.5 -59.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ALA . 33.0 t0 -36.73 -50.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -77.12 -53.0 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 44.8 t60 -40.42 -50.21 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -44.93 -39.74 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -53.99 -47.06 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.9 mp -80.92 -53.31 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.6 t -30.81 130.11 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.0 m-85 -44.52 -40.5 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' HG13 ' A' ' 58' ' ' VAL . 12.4 tp10 -42.95 135.88 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -58.56 128.41 37.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' NH2' ' A' ' 73' ' ' ARG . 14.6 m -143.79 143.52 23.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.88 61.7 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 40.9 t -43.78 138.7 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.807 HD12 HD11 ' A' ' 80' ' ' LEU . 15.3 mt -46.14 -37.7 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.669 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.8 p30 -94.58 33.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -60.72 -38.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -26.9 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.22 -37.75 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.72 37.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.23 112.65 58.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.74 26.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' CE1' ' A' ' 79' ' ' HIS . 50.1 m-85 -46.76 134.31 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -139.05 128.34 24.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -162.83 -177.63 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.42 152.37 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.686 ' NH2' HG11 ' A' ' 58' ' ' VAL . 23.9 ttm105 -63.44 -35.88 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -86.13 9.55 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -121.23 -21.08 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG12 ' HG ' ' A' ' 80' ' ' LEU . 42.2 t -48.72 -45.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -42.86 -64.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -40.0 -29.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' CYS . 17.1 t60 -89.79 -38.91 13.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 HD12 ' A' ' 61' ' ' LEU . 36.3 mt -48.42 -49.1 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.09 -32.9 49.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.2 ptm -110.72 12.47 22.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.4 t -80.39 135.55 53.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.669 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.43 -25.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.755 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.784 0.326 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.806 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.6 m170 -118.57 129.12 55.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.533 ' C ' HG22 ' A' ' 11' ' ' VAL . 33.8 m -46.49 -36.46 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' A' ' 27' ' ' SER . 45.6 t60 -82.69 -69.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 28.7 m -41.38 -48.01 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 7' ' ' HIS . 18.1 m -41.84 -41.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -109.9 39.81 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -130.27 128.75 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 15' ' ' SER . 28.0 m -123.06 -43.43 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.1 t -44.81 125.29 4.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -28.72 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -89.76 36.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -72.1 135.3 46.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.8 mtm -133.99 58.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.9 m -101.44 133.29 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.61 119.89 12.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.733 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 123.06 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 2.1 mm-40 -120.18 155.45 55.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.21 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.13 -38.72 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -80.4 -75.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 9' ' ' HIS . 3.1 m -122.63 164.78 17.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.8 p -137.5 156.79 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.54 148.36 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.7 mt -95.14 142.82 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.76 138.83 47.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.82 140.84 24.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 t -40.15 133.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.72 7.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.6 mt -115.88 18.24 15.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.7 m 44.8 35.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.75 -24.1 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.04 53.73 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.26 129.78 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD22 ' A' ' 30' ' ' LEU . 62.1 t -103.17 117.4 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.69 ' C ' HD23 ' A' ' 30' ' ' LEU . 2.6 p90 -134.15 169.37 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 63.4 m-70 -70.41 126.27 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 84.2 p -34.59 -40.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 16.6 p -66.78 -46.39 75.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.1 mmtt -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -37.25 -55.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -42.41 -44.32 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -79.34 -48.41 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 31.8 t60 -46.15 -55.03 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -39.61 -42.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -54.66 -41.53 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.5 mt -82.84 -47.59 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.5 t -33.87 129.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.8 Cg_endo -69.71 -25.46 28.81 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.1 m-85 -74.21 -33.73 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.6 tm-20 -41.5 127.28 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -58.15 122.77 13.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.601 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.5 m -139.49 148.69 57.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.73 63.58 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 t -46.21 131.28 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.976 HD12 HD11 ' A' ' 80' ' ' LEU . 19.1 mt -35.67 -48.79 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -84.17 49.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.5 p -67.77 -44.61 77.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -33.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.74 -39.69 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.99 36.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.0 t -84.7 110.78 30.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.591 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 46.2 m-85 -75.03 132.46 41.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -136.35 127.34 27.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.89 -178.5 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -57.79 160.51 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG3' HG21 ' A' ' 58' ' ' VAL . 42.6 mtt-85 -69.16 -21.6 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -94.85 -16.95 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -90.06 -16.37 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 72' ' ' ALA . 4.4 m -55.48 -28.31 22.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.61 -58.0 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.76 -25.06 6.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 16.2 t60 -92.91 -31.1 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.976 HD11 HD12 ' A' ' 61' ' ' LEU . 14.2 mt -59.26 -39.84 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.58 -24.71 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 ptp -119.86 15.99 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' HIS . 3.4 t -84.54 139.63 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.96 -23.21 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 13.8 pt20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.8 m170 -121.98 107.99 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -32.5 -48.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' OG ' ' A' ' 27' ' ' SER . 50.8 t60 -65.79 -67.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 m -44.18 -56.48 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 8' ' ' SER . 22.6 m -46.19 -26.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -118.92 36.22 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 t -134.76 117.22 15.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.28 31.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.8 t -104.39 141.29 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -85.92 -39.03 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -93.79 27.22 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.486 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -58.02 126.16 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.9 mmm -122.47 53.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.59 146.05 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -65.89 120.37 68.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 122.28 8.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 mm-40 -120.21 154.25 55.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 54.3 Cg_endo -69.72 78.66 0.98 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.4 -36.32 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.1 mp -83.28 -71.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.464 ' OG ' ' CB ' ' A' ' 9' ' ' HIS . 3.5 m -126.71 164.69 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.9 p -136.36 160.0 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.78 157.71 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.56 HD22 HG12 ' A' ' 40' ' ' VAL . 9.0 mt -104.32 143.87 32.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.42 142.97 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.45 139.39 20.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -39.84 133.83 1.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -8.76 24.42 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.7 mt -109.7 18.44 20.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.1 m 44.01 35.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -25.29 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 48.99 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.75 130.06 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 30' ' ' LEU . 92.5 t -101.04 116.76 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.8 p90 -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' LYS . 70.3 m-70 -59.74 133.07 55.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.6 p -37.18 -43.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.7 p -69.18 -39.64 78.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 mmtt -67.54 -19.27 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -55.64 -39.98 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -60.38 -33.16 72.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' OE2' ' CD ' ' A' ' 45' ' ' LYS . 4.3 pt-20 -91.01 -27.17 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.544 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.3 t60 -66.63 -48.69 68.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -44.35 -29.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.58 -49.93 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.553 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.2 mp -82.47 -44.56 15.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 50.1 t -33.73 123.98 0.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.465 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.5 m-85 -47.39 -37.73 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -41.13 138.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -64.14 125.19 23.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 73' ' ' ARG . 13.4 m -142.86 145.18 32.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.87 61.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.0 t -40.54 130.92 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 80' ' ' LEU . 18.6 mt -38.59 -43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -93.65 40.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.4 t -59.73 -47.07 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -41.76 -46.68 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -53.28 -41.81 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.17 48.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -108.42 110.74 61.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -15.77 37.34 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.613 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.6 m-85 -54.01 132.26 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -136.53 128.91 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.95 177.05 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -57.88 134.52 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.1 ttm105 -39.46 -33.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -78.35 -42.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -60.24 -31.58 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 73' ' ' ARG . 3.0 m -42.54 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.7 -38.64 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.613 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 26.6 t60 -67.4 -49.96 61.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 61' ' ' LEU . 21.6 mt -46.12 -37.35 6.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.07 -42.67 73.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -113.33 23.27 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.9 t -82.33 133.3 50.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.42 2.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.72 -31.84 64.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 49.1 m170 -105.34 114.89 29.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -55.57 -56.87 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 33.0 t60 -48.48 -62.63 1.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.538 ' HG ' ' CG ' ' A' ' 42' ' ' HIS . 3.3 m -59.72 -34.13 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.57 -27.65 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -130.36 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -112.3 91.49 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.22 29.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.8 t -104.4 129.02 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -76.18 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -81.19 40.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.769 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.84 131.51 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -126.55 39.55 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.2 m -83.93 140.1 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -54.62 119.28 20.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -80.63 165.26 47.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.85 10.25 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.622 2.215 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.3 -56.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -48.57 -62.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.518 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 40.7 t -124.44 173.45 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 11.3 p -147.02 168.57 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.25 141.81 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.8 mt -88.95 140.89 28.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -134.38 144.66 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.07 142.61 23.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.9 t -43.65 134.23 3.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.2 mt -110.49 19.59 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 41.65 36.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -63.73 -26.98 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.89 49.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.7 136.81 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 86.9 t -107.57 117.47 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -132.84 158.2 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.538 ' CG ' ' HG ' ' A' ' 10' ' ' CYS . 49.6 m-70 -62.46 133.85 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.818 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -38.25 -39.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.78 -41.0 88.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.8 mmtm -66.17 -41.01 90.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -32.19 -59.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.4 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 16.5 mt-10 -81.72 -52.07 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.695 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 33.7 t60 -39.41 -53.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -38.36 -42.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.74 -52.66 55.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.8 mp -75.02 -46.81 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.0 t -32.54 131.32 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.61 2.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 5.8 m-85 -53.28 -41.86 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.13 139.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.48 127.28 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.848 HG21 ' HG2' ' A' ' 73' ' ' ARG . 22.8 m -139.5 146.14 46.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.06 58.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.4 t -44.41 138.34 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.064 HD12 HD11 ' A' ' 80' ' ' LEU . 13.9 mt -42.15 -46.38 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -91.19 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 t -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -38.57 -53.8 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -49.77 -42.72 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.76 53.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.9 t -101.03 109.13 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.8 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 53.1 m-85 -78.36 128.25 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 p -133.66 131.91 40.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.27 177.67 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -62.58 147.51 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.848 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.1 mmt85 -58.24 -39.69 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -78.2 10.12 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -123.87 -30.2 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -41.33 -44.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.55 -40.98 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.2 t60 -64.53 -48.34 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.064 HD11 HD12 ' A' ' 61' ' ' LEU . 58.4 mt -45.89 -35.24 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.66 -47.16 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -108.83 25.37 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.19 137.47 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -48.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.49 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.361 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.913 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.0 m170 -114.76 112.86 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 18.3 t -43.94 -34.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 47.8 t60 -77.8 -70.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -42.64 -54.23 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.913 HG22 ' O ' ' A' ' 7' ' ' HIS . 20.8 m -43.58 -33.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.5 p30 -116.05 38.59 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.1 t -131.05 126.2 35.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.6 -39.35 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -44.7 122.33 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -72.71 -25.58 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -94.83 32.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.99 122.09 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -116.93 40.3 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.1 m -81.08 149.06 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -66.89 120.79 74.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 106.63 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -96.13 159.35 32.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 10.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.63 -56.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -54.35 -77.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 9' ' ' HIS . 23.1 t -120.57 159.29 25.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.8 p -121.57 171.2 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.76 147.65 49.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 18' ' ' CYS . 10.6 mt -94.02 143.6 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.34 150.12 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.51 143.16 17.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 t -40.68 133.98 1.67 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.66 5.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.617 2.211 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.0 mt -117.54 19.69 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 24.0 m 44.36 36.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.96 -25.43 68.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.39 49.32 1.57 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.8 136.09 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.76 117.38 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 p90 -133.91 162.1 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 76.0 m-70 -63.82 129.2 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 70.6 p -34.08 -44.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 21.6 p -65.82 -46.56 78.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' HIS . 15.1 mmtp -56.85 -39.5 74.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -33.13 -60.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ALA . 5.9 m-20 -35.89 -49.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -77.73 -49.82 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 47.3 t60 -43.34 -56.51 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -37.83 -44.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.67 -51.42 38.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.615 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.2 mp -77.59 -48.73 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' LEU . 54.1 t -32.59 131.42 0.32 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 -34.23 14.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.3 m-85 -64.65 -40.18 94.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.51 135.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -64.99 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.665 HG21 ' HG2' ' A' ' 73' ' ' ARG . 12.2 m -132.26 146.52 61.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.453 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 14.8 t -42.8 136.3 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 80' ' ' LEU . 13.4 mt -42.35 -45.13 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.809 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.7 p30 -88.19 35.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.1 t -58.62 -46.06 87.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -43.09 -39.13 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.78 -38.32 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.59 36.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.8 t -93.21 111.03 50.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -18.04 37.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 52.5 m-85 -53.42 129.59 32.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -135.6 128.51 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.25 177.79 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 147.08 53.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.0 mmm180 -53.84 -40.03 66.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -78.79 9.65 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.6 mmmp? -122.99 -32.14 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' LYS . 15.6 t -36.07 -51.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.76 -65.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -38.66 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.581 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 12.8 t60 -90.21 -36.19 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 61' ' ' LEU . 15.5 mt -49.58 -49.66 45.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.48 -35.53 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ptm -107.54 13.63 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.9 t -79.37 135.24 57.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.809 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.45 -25.81 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.79 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.871 ' O ' HG22 ' A' ' 11' ' ' VAL . 23.1 m170 -118.52 123.68 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 11' ' ' VAL . 72.1 m -48.73 -33.47 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 29.5 t60 -80.22 -68.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.6 m -42.2 -52.77 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.2 m -43.29 -41.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -107.14 37.77 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -129.12 134.59 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.3 -39.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -44.7 132.27 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.68 -41.08 46.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.64 ' NH2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.89 43.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -79.03 107.33 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.9 mtm -103.44 43.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ARG . 58.3 m -83.14 119.53 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 57.7 ttp85 -37.59 117.72 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 tt0 -102.69 141.07 21.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.36 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.36 -36.19 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.3 mp -93.54 -58.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.555 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.6 p -143.27 148.25 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.5 p -110.61 164.4 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.8 155.26 27.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 18' ' ' CYS . 14.0 mt -91.4 144.23 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -139.46 136.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.84 142.59 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 t -45.83 134.3 6.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -4.99 15.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.4 mt -111.05 16.19 21.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.1 m 43.88 33.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -62.63 -27.54 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.94 49.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.98 141.65 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.64 HG21 ' NH2' ' A' ' 17' ' ' ARG . 75.2 t -111.77 116.69 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 3.2 p90 -134.42 161.62 34.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.402 ' N ' HD23 ' A' ' 30' ' ' LEU . 65.9 m-70 -63.05 133.82 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 p -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 10.6 p -68.64 -46.58 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 37.7 mmtt -56.31 -34.23 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -40.54 -64.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' ALA . 65.8 m-20 -34.12 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -89.26 -47.95 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 14.2 t60 -52.89 -52.32 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.6 ptm180 -38.46 -41.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 58.8 mt -56.55 -42.51 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.7 mt -82.45 -43.09 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -31.02 128.17 0.28 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.16 37.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -87.94 -42.19 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 58' ' ' VAL . 17.0 tp10 -39.01 135.39 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -62.58 124.05 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.62 HG21 ' CG ' ' A' ' 73' ' ' ARG . 15.0 m -133.23 145.6 57.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.4 t -42.69 135.82 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 80' ' ' LEU . 19.8 mt -41.3 -49.0 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -82.64 44.05 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -57.92 -44.47 86.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.65 -54.62 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -47.56 -43.67 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.35 39.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 t -83.17 110.88 26.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.79 -4.58 14.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -72.16 130.49 40.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -135.39 131.1 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.14 177.63 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -57.35 160.01 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.62 ' CG ' HG21 ' A' ' 58' ' ' VAL . 67.6 mtp85 -71.84 -38.26 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -77.19 3.53 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -23.0 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' ALA . 6.9 t -45.09 -44.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -44.39 -63.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -44.93 -45.21 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -61.65 -47.38 85.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 61' ' ' LEU . 93.8 mt -46.91 -37.13 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.73 -41.76 78.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ptm -113.72 23.37 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.26 139.52 45.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -42.97 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.96 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.856 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 47.1 mt-30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.853 0.359 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 11' ' ' VAL . 27.8 m170 -120.74 126.04 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' HG22 ' A' ' 11' ' ' VAL . 56.8 m -47.79 -35.86 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 42.4 t60 -79.68 -69.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 33.6 m -43.38 -52.12 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 7' ' ' HIS . 34.6 m -44.15 -35.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -115.97 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -126.3 97.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -99.46 31.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -104.61 149.45 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -89.59 -60.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.618 HH12 HG21 ' A' ' 40' ' ' VAL . 13.6 mmt-85 -81.94 40.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.869 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -60.3 122.99 15.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.47 47.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -91.65 132.81 36.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -51.29 119.17 12.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.37 1.65 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -93.16 163.89 23.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.66 1.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.04 -54.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 27' ' ' SER . 1.9 mp -50.74 -69.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 26' ' ' ILE . 39.8 t -127.54 159.3 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 13.4 p -124.79 167.87 14.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.34 150.28 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 18' ' ' CYS . 11.1 mt -94.42 151.74 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -140.65 138.46 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.2 53.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.03 136.94 95.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -29.4 23.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.4 mt -91.32 14.89 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 42.08 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -67.02 -24.97 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 56.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.76 146.54 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.618 HG21 HH12 ' A' ' 17' ' ' ARG . 52.1 t -118.23 118.44 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 p90 -131.79 162.82 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 74.6 m-70 -68.22 131.32 45.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 92.6 p -37.66 -37.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -68.42 -42.7 78.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' HIS . 27.1 mmtt -69.27 -28.9 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -35.48 -65.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.1 t0 -34.12 -51.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.37 -37.41 77.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.731 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 73.2 t60 -53.4 -38.3 63.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -55.83 -13.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.96 -21.15 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.2 mm? -102.4 -47.16 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 8.4 t -32.45 118.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.97 22.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 3.3 m-85 -88.37 -41.73 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -33.46 138.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 23.1 ttm180 -64.79 105.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 56' ' ' GLU . 11.4 m -117.83 143.89 33.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.72 146.12 59.47 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' PRO . 28.1 t -35.56 137.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -49.55 -36.32 23.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -93.35 40.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 p -51.07 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -52.68 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -51.01 -42.61 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.28 46.03 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.69 109.68 31.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.48 3.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 55.0 m-85 -81.09 141.5 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.4 p -142.14 130.55 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.33 176.03 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -58.85 131.28 50.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -43.78 -24.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.58 -37.85 16.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -87.3 26.3 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 72' ' ' ALA . 34.0 m -83.91 -36.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -55.32 -55.58 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -46.69 -26.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.44 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.4 t60 -92.69 -38.94 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.625 HD11 HD12 ' A' ' 61' ' ' LEU . 31.4 mt -51.77 -46.21 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 82' ' ' MET . 16.2 pt-20 -56.21 -39.58 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.443 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 15.5 ptp -106.21 18.3 22.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' HIS . 4.1 t -86.74 138.79 33.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.31 6.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.14 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -179.732 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.795 ' O ' HG22 ' A' ' 11' ' ' VAL . 31.3 m170 -116.18 123.33 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' HG22 ' A' ' 11' ' ' VAL . 35.3 m -48.13 -34.74 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 53.0 t60 -78.82 -69.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 36.5 m -44.73 -53.99 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.2 m -44.31 -36.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.44 38.23 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -126.29 97.54 5.11 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -98.63 27.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -102.68 155.32 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -100.86 -53.54 3.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -83.97 32.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.63 134.83 56.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 mtm -127.93 57.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -97.2 132.48 42.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -49.09 119.99 9.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.5 Cg_endo -69.84 107.57 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.67 162.63 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.81 6.95 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.04 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -46.79 -68.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 13.8 p -137.95 164.43 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.2 p -125.49 175.28 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -63.82 159.57 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 42' ' ' HIS . 13.9 mt -104.99 143.57 33.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -142.67 138.28 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.23 148.71 42.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 24.5 t -53.04 134.23 49.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.18 17.99 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.6 mt -106.33 13.91 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 23.2 m 45.32 36.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.1 p -67.36 -23.54 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.14 55.99 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.8 135.06 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 30' ' ' LEU . 93.4 t -105.51 117.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.755 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.16 149.38 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.593 ' HA ' HD23 ' A' ' 30' ' ' LEU . 74.8 m-70 -50.9 133.51 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 90.2 p -35.08 -45.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.6 p -64.37 -46.38 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 36.2 mmtt -63.83 -9.79 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -67.38 -16.42 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.56 -30.81 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.81 -30.97 14.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.755 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 16.3 t60 -62.22 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.16 -27.63 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.14 -47.07 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.55 HD12 ' H ' ' A' ' 52' ' ' LEU . 2.2 mp -85.23 -40.88 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 52.5 t -32.94 119.94 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.5 Cg_endo -69.75 -15.06 36.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.41 -23.54 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.7 tm-20 -53.59 131.3 38.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -58.81 119.89 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.79 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.2 m -133.71 147.4 64.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.6 Cg_endo -69.79 148.24 64.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' SER . 3.7 t -49.36 131.17 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 80' ' ' LEU . 13.0 mt -34.72 -50.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.861 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 2.4 p30 -85.11 43.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' CYS . 28.7 t -65.62 -42.55 91.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.31 -43.04 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.19 -34.76 68.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.12 38.0 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.89 109.87 44.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.51 36.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 58.8 m-85 -57.22 125.85 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.7 p -134.73 127.46 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 -178.62 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -66.33 150.55 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.79 ' HG3' HG21 ' A' ' 58' ' ' VAL . 23.7 mtp180 -57.85 -37.65 74.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -80.29 9.05 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 1.2 mptm? -123.67 -25.71 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -43.98 -45.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.98 -66.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.75 -49.92 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.661 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 27.0 t60 -61.19 -49.65 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 61' ' ' LEU . 39.7 mt -46.71 -36.58 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.24 -35.57 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.8 18.92 14.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.64 129.59 64.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.861 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.5 -20.17 29.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.791 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 9.5 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.927 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.2 m170 -122.47 124.03 42.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 25.0 p -44.31 -37.92 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 60.1 t60 -76.95 -69.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -41.45 -55.97 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.1 m -42.79 -36.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.8 p30 -115.14 39.95 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.42 118.79 27.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 15' ' ' SER . 34.5 m -110.09 -39.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 14' ' ' VAL . 42.6 m -44.87 125.56 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -72.74 -50.13 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -81.02 41.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.58 126.41 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mmt -125.29 59.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -100.78 139.8 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.67 115.85 7.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.641 0.734 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.3 mm-40 -94.79 162.8 24.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 8.16 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.74 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -48.78 -70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.4 p -134.57 165.33 25.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.804 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.2 p -129.97 173.87 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.3 163.43 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.2 mt -112.57 143.62 43.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.27 147.33 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.69 143.61 23.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.7 133.83 13.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.43 12.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 70.8 mt -114.17 17.32 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 43.94 35.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 1.6 p -65.53 -20.68 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.03 46.55 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.54 120.66 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 30' ' ' LEU . 91.5 t -94.0 116.66 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p90 -134.41 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' N ' HD23 ' A' ' 30' ' ' LEU . 76.8 m-70 -63.12 128.87 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' HIS . 24.6 p -33.31 -44.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.4 p -65.47 -47.7 75.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.3 mmmp? -60.72 -28.59 68.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -45.53 -56.22 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 32.6 m-20 -44.93 -29.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' HD23 ' A' ' 51' ' ' LEU . 6.0 mp0 -93.88 -34.9 12.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.696 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 5.0 t60 -69.38 -17.24 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HD22 ' A' ' 51' ' ' LEU . 6.4 ptm180 -77.96 -8.32 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.2 mm? -85.68 -30.64 23.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.9 mp -102.22 -35.58 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 53.9 t -33.63 131.7 0.38 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 5.9 m-85 -48.39 -39.87 23.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -38.79 138.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.462 ' N ' ' OE2' ' A' ' 56' ' ' GLU . 20.7 ttm105 -68.3 112.0 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.594 HG21 ' CG ' ' A' ' 73' ' ' ARG . 12.4 m -121.31 146.88 45.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.88 58.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.6 t -39.41 136.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.868 HD12 HD11 ' A' ' 80' ' ' LEU . 36.9 mt -49.04 -34.12 12.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -94.47 33.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 p -46.12 -45.84 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.03 -50.56 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.31 -42.03 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.36 41.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -87.54 109.8 29.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.71 -9.19 25.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -67.36 130.86 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -132.0 133.46 44.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.542 ' HG2' HG22 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.82 173.2 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -61.91 146.52 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.594 ' CG ' HG21 ' A' ' 58' ' ' VAL . 55.4 mtt-85 -56.25 -43.7 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -76.89 7.85 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -121.53 -25.11 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 71' ' ' MET . 67.7 t -53.29 -45.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -35.94 -46.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.91 -49.38 68.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -56.47 -36.94 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 HD12 ' A' ' 61' ' ' LEU . 40.7 mt -56.31 -34.45 66.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.08 -36.94 85.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.7 20.53 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.2 t -94.08 134.87 25.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.6 0.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.51 -26.2 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 3.3 m -167.8 170.41 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 90.6 p -171.31 148.58 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 164.8 154.47 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.3 t -130.63 175.6 8.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 64.8 p -154.33 145.47 22.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 155.53 129.08 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mtt -143.04 117.85 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -95.6 136.28 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -169.26 130.78 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -136.65 147.23 46.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.0 mt -117.49 178.85 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -76.28 169.77 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.3 m170 -107.99 108.81 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.552 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -37.11 -44.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 28.8 t60 -68.71 -66.76 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.3 m -44.51 -56.34 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.76 HG23 HD22 ' A' ' 12' ' ' ASN . 21.4 m -46.88 -26.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.76 HD22 HG23 ' A' ' 11' ' ' VAL . 2.0 m-80 -119.98 36.02 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.5 t -128.55 100.48 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 15' ' ' SER . 34.6 m -86.91 -42.71 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 14' ' ' VAL . 39.7 m -45.92 122.57 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -74.75 -36.54 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 5.0 ttt85 -86.44 32.49 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.34 135.7 57.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.2 mtt -129.94 48.76 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 128.16 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -43.55 120.5 3.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 105.56 1.52 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.652 2.235 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 27' ' ' SER . 12.3 tp10 -102.02 140.29 21.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.683 0.754 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.73 88.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.54 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 130.41 -29.44 3.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.65 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.14 -58.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 6.6 p -142.14 144.99 33.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.2 p -109.13 167.01 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.73 146.45 54.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 18' ' ' CYS . 12.8 mt -85.34 149.06 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.546 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -140.58 139.91 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.45 141.22 26.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.21 133.88 3.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.642 0.734 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -3.56 12.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 59.3 mt -116.29 18.44 15.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.1 m 43.34 36.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.28 47.31 1.45 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.95 142.52 21.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 111.077 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.14 117.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -134.32 166.13 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' N ' HD23 ' A' ' 30' ' ' LEU . 70.0 m-70 -72.77 135.47 45.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.9 p -41.03 -39.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 p -69.72 -39.92 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -70.9 -34.67 71.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -34.67 -61.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -42.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 45' ' ' LYS . 50.7 mm-40 -79.05 -43.85 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 34.2 t60 -51.5 -47.42 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -44.95 -43.18 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.6 mt -50.2 -41.5 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' CYS . 4.6 mp -85.79 -51.4 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LEU . 45.3 t -33.06 126.3 0.4 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.742 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.1 m-85 -46.31 -41.43 13.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.8 tm-20 -34.16 128.96 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -58.81 115.34 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG21 ' HD2' ' A' ' 73' ' ' ARG . 27.3 m -129.72 143.2 48.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.96 69.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' SER . 52.9 t -44.05 131.03 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.79 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -39.76 -36.92 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -94.18 42.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' CYS . 62.5 p -58.32 -29.08 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.26 -46.08 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -55.64 -42.35 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.1 45.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -90.15 108.57 27.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.4 Cg_endo -69.79 -0.02 6.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 73.4 m-85 -78.7 146.8 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -144.3 133.81 23.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.88 178.75 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -61.39 149.67 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 58' ' ' VAL . 10.3 tpt180 -56.31 -29.5 61.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -85.89 -31.82 21.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -87.03 23.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 72' ' ' ALA . 32.9 m -80.56 -34.47 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -59.99 -66.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' ALA . 12.4 pt-20 -36.29 -35.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.422 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 38.6 t60 -83.42 -42.54 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.79 HD11 HD12 ' A' ' 61' ' ' LEU . 27.7 mt -55.74 -33.26 64.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.58 -47.87 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.41 ' O ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -104.84 23.37 13.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -89.56 138.57 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.97 10.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.52 40.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' VAL . 21.4 t -123.37 -20.94 5.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 29.8 m 35.62 41.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.2 t -116.91 97.28 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.87 167.47 54.7 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.75 3.45 2.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 90' ' ' PRO . 15.7 t -33.1 114.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.0 t -136.42 128.0 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 28.5 t -128.73 125.91 38.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.351 . . . . 0.0 110.879 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.1 t -125.56 -49.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 62.62 122.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.9 p -127.0 98.91 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.4 p -138.73 136.27 35.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -157.02 178.47 33.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt -170.21 124.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -138.29 109.77 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.16 160.27 22.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -98.46 133.69 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.2 -177.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -121.12 164.06 17.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.646 ' O ' HG13 ' A' ' 11' ' ' VAL . 32.4 m170 -118.52 114.56 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.695 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.9 m -46.42 -57.83 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 23.6 t60 -52.48 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.3 m -48.78 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 8' ' ' SER . 10.5 m -48.15 -24.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -118.0 34.51 5.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -129.67 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.2 m -94.99 31.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.2 t -103.94 146.48 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -94.22 -47.74 6.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -85.0 27.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -60.63 128.57 37.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -128.05 52.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.72 146.45 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 mtp85 -61.51 120.38 55.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.7 Cg_endo -69.77 111.64 2.87 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.8 mm-40 -101.71 162.5 20.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.638 0.733 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 8.13 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.24 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -49.12 -75.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.6 p -129.49 169.14 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -132.29 178.91 6.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 1.3 m-20 -66.19 156.09 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.547 HD22 HG12 ' A' ' 40' ' ' VAL . 10.6 mt -102.22 142.73 32.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.86 137.05 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.6 142.34 28.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 t -42.18 133.85 2.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.02 6.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.1 mt -118.6 19.75 13.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.3 m 43.31 36.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.87 -26.68 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.5 43.41 2.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.07 134.56 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 HD22 ' A' ' 30' ' ' LEU . 88.9 t -105.81 117.36 51.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.683 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -133.95 163.58 29.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.5 m-70 -67.26 127.24 31.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' HIS . 51.9 p -34.04 -43.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.8 p -62.02 -46.42 89.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' HIS . 11.6 mmmt -64.88 -35.04 79.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -34.46 -50.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.33 -49.18 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.98 -50.76 18.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.683 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 48.5 t60 -45.6 -55.28 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -39.56 -41.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.77 -45.7 78.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.5 mt -80.06 -50.22 10.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.7 t -32.86 132.84 0.31 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.9 m-85 -43.83 -36.48 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.4 tt0 -37.0 135.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -56.08 125.16 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 56' ' ' GLU . 20.8 m -140.79 143.29 31.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.607 0.718 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.48 69.48 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' LEU . 12.0 t -54.8 131.85 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -37.78 -45.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -80.68 44.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.1 p -60.42 -44.62 95.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -43.61 -54.92 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -49.08 -42.77 39.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.94 49.35 0.31 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.2 t -91.84 109.32 36.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.84 4.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.379 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 40.2 m-85 -78.92 121.46 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.6 p -126.12 130.85 51.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.21 -175.53 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -63.01 152.75 36.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -66.99 -33.33 75.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.79 10.17 19.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -119.92 -22.46 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.3 t -54.62 -47.11 72.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -34.6 -46.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.35 -49.01 59.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.497 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 37.3 t60 -56.01 -33.81 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 55.7 mt -60.77 -34.46 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.99 -41.77 92.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -112.4 22.83 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -84.1 139.34 39.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -48.29 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.33 -35.99 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' VAL . 2.2 m -60.95 -18.25 56.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' SER . 35.1 m 33.09 42.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -123.25 103.47 8.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 80.44 139.73 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 99.89 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.8 t -58.49 140.94 53.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -122.3 107.84 12.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 24.6 p -173.6 168.37 4.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.3 t -168.56 163.91 12.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -177.13 136.87 3.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 57.7 m -152.6 168.32 26.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.7 t -170.05 160.42 8.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -167.71 86.12 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mtt -133.1 117.17 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -138.92 142.65 38.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.33 145.2 42.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.21 138.46 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.22 171.02 9.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -64.12 173.04 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.857 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.7 m170 -121.6 119.46 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.2 t -44.65 -34.88 2.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 39.3 t60 -78.79 -69.88 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 41.1 m -42.32 -53.95 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 7' ' ' HIS . 21.8 m -41.91 -38.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -111.7 39.87 2.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.34 118.62 19.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.54 -9.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -71.23 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.34 -41.78 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.683 HH21 HG21 ' A' ' 40' ' ' VAL . 5.3 mmp_? -83.75 32.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.08 127.58 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.6 mtt -124.13 55.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.2 m -100.64 131.5 46.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -49.1 120.17 9.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 114.31 3.68 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -102.16 162.6 19.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.684 2.256 . . . . 0.0 112.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.51 -58.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -48.33 -71.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.593 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 26.4 p -131.67 164.68 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.2 p -124.62 175.51 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.13 157.43 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.707 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -103.38 151.57 22.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -146.62 138.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.4 139.87 22.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -43.16 133.62 3.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.716 2.278 . . . . 0.0 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 36' ' ' VAL . 9.9 mt -108.35 16.03 23.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 35' ' ' LEU . 15.5 m 45.72 32.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.9 p -62.27 -28.56 69.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.39 46.91 1.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.19 128.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.683 HG21 HH21 ' A' ' 17' ' ' ARG . 46.5 t -102.61 117.15 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.707 ' C ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -133.62 169.38 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 45' ' ' LYS . 69.1 m-70 -71.44 128.0 34.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' HIS . 26.3 p -34.95 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 p -74.68 -46.53 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' HIS . 41.4 mmtt -60.0 -25.73 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -45.61 -64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.5 p-10 -33.53 -37.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ALA . 54.0 mm-40 -85.5 -41.16 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.677 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 56.9 t60 -60.49 -50.38 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' ASP . 2.3 ptp180 -46.05 -30.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.54 -37.94 77.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' CYS . 16.7 mt -85.14 -53.52 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.9 t -32.19 129.28 0.32 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HB2' ' CG ' ' A' ' 74' ' ' ASN . 54.1 Cg_endo -69.71 -39.35 6.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.89 -45.9 71.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.0 tp10 -43.24 139.06 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp85 -60.91 125.89 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 71' ' ' MET . 32.6 m -135.74 145.98 55.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.731 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 146.83 60.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.09 131.39 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.954 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -39.22 -42.69 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.64 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 7.7 p30 -88.64 46.19 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -59.14 -42.54 90.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -47.68 -43.28 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -56.48 -40.44 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.33 49.21 0.32 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.9 t -94.78 110.28 48.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -69.94 145.03 52.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.7 p -146.89 129.12 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -159.15 -179.52 8.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.21 148.54 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.48 -32.85 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' OD1' ' HB1' ' A' ' 72' ' ' ALA . 21.1 p-10 -85.8 10.51 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -122.56 -28.8 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.486 HG12 ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -45.73 -49.4 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 76' ' ' VAL . . . -32.07 -66.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -46.04 -47.49 16.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -59.94 -47.95 83.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.954 HD11 HD12 ' A' ' 61' ' ' LEU . 43.6 mt -46.92 -35.93 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.29 -45.3 88.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -108.84 24.71 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.7 t -87.29 137.07 32.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -46.03 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -61.99 -22.29 65.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 87' ' ' VAL . 31.0 t -69.71 -15.78 63.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' C ' ' O ' ' A' ' 86' ' ' SER . 34.0 m 31.8 47.29 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -152.04 112.95 4.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 161.86 16.3 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 90.43 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.0 p -104.2 138.08 41.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -84.8 -52.91 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.443 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 38.2 t -167.66 118.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.826 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 37.4 p -172.02 118.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 166.0 125.08 0.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.6 m -94.64 85.07 4.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.5 p -102.17 85.65 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 146.36 93.97 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -124.84 104.86 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 151.85 18.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -146.46 124.86 12.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -65.67 139.76 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.8 mt -102.7 175.37 5.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -90.92 169.64 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 11' ' ' VAL . 30.4 m170 -118.47 112.97 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -38.65 9.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 16.8 t60 -72.41 -68.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 m -44.58 -58.14 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 7' ' ' HIS . 31.0 m -47.53 -24.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -122.81 35.47 4.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -123.77 125.04 44.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.72 30.28 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 t -104.01 123.47 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -82.77 36.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' HD11 ' A' ' 30' ' ' LEU . 2.7 t -56.02 132.42 49.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 91.8 mmm -128.97 54.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -98.1 126.51 43.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.0 ttt85 -41.92 116.43 1.67 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 109.63 2.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 27' ' ' SER . 4.5 mm-40 -103.18 158.32 32.02 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 10.2 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.46 -58.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -54.33 -75.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 2.1 p -134.04 168.82 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.1 p -124.69 -174.98 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.47 158.93 34.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.1 mt -100.4 148.73 24.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -144.48 141.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.53 143.55 30.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 48.8 t -50.02 134.46 22.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.2 18.01 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.579 ' O ' HG22 ' A' ' 36' ' ' VAL . 68.0 mt -107.94 14.49 25.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 44.81 34.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 p -65.21 -24.87 67.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.27 54.46 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.16 137.13 9.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG12 HD22 ' A' ' 30' ' ' LEU . 38.8 t -107.4 116.93 52.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.761 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.4 p90 -133.95 159.99 39.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 45' ' ' LYS . 83.7 m-70 -62.13 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 42' ' ' HIS . 82.3 p -35.56 -40.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 17.7 p -66.02 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.1 mmmp? -61.37 -35.98 78.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -33.57 -51.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.72 -51.27 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.59 -47.83 37.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.761 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 30.9 t60 -46.66 -55.39 7.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' HIS . 72.0 mtt180 -35.81 -45.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -52.23 -45.15 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' HIS . 5.0 mt -79.76 -42.87 23.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.3 t -34.01 127.69 0.45 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 53.9 Cg_endo -69.71 -15.48 37.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.4 m-85 -85.77 -44.07 12.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.3 tp10 -35.03 133.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.44 125.88 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG21 ' CG ' ' A' ' 73' ' ' ARG . 15.9 m -142.3 146.74 40.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.633 0.73 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.5 62.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.5 t -39.9 137.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.007 HD12 HD11 ' A' ' 80' ' ' LEU . 19.0 mt -43.51 -43.77 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -93.39 39.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.8 t -59.37 -44.96 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.91 -47.62 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -51.52 -39.8 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.71 35.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -92.05 111.48 50.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.5 Cg_endo -69.77 -25.89 28.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -45.9 150.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -151.8 132.06 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.587 ' HG2' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.67 -177.63 5.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -66.22 142.43 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.674 ' CG ' HG21 ' A' ' 58' ' ' VAL . 32.0 mtp85 -49.15 -20.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -98.1 -23.23 15.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' ALA . 18.6 mmtp -84.21 -32.41 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.587 HG12 ' HG2' ' A' ' 71' ' ' MET . 26.9 m -43.25 -24.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.37 -68.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.94 -30.4 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -78.61 -45.72 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.007 HD11 HD12 ' A' ' 61' ' ' LEU . 21.2 mt -45.06 -37.46 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.11 -44.28 91.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -103.61 19.78 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.2 t -88.69 129.52 48.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -40.14 5.63 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.74 -20.6 63.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 87' ' ' VAL . 6.1 m -70.49 -16.37 62.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 86' ' ' SER . 30.1 m 31.58 44.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -105.05 -54.39 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.41 159.88 8.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.5 9.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 t -146.73 142.02 27.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 t -107.17 106.55 17.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 9.5 m -96.27 -58.62 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 49.7 p -174.21 162.86 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 178.92 143.74 5.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 40.2 t -169.53 161.41 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.3 p -125.52 -46.24 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 106.18 155.57 21.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.17 145.01 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -146.77 128.85 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -136.47 168.57 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -103.69 123.91 47.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.4 -177.55 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -113.39 164.54 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.589 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.5 m170 -96.28 108.82 21.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.67 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 m -40.23 -43.68 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 27.9 t60 -68.76 -66.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 m -44.26 -55.61 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.746 HG23 HD22 ' A' ' 12' ' ' ASN . 22.0 m -44.76 -27.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.746 HD22 HG23 ' A' ' 11' ' ' VAL . 5.4 m-80 -121.01 38.28 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.96 109.99 10.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.59 -26.34 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -48.87 150.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttp-105 -92.92 -46.22 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 HH21 HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.83 38.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 104.44 1.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 mtt -100.77 40.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.0 m -80.82 128.43 33.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -47.78 119.99 7.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 105.82 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.58 ' HG2' HD13 ' A' ' 26' ' ' ILE . 11.0 tp10 -102.15 140.01 20.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.652 0.739 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 54.1 Cg_endo -69.72 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' C ' HD12 ' A' ' 26' ' ' ILE . . . 133.44 -29.76 3.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.678 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.2 mp -102.74 -56.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.091 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.53 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 12.5 t -138.97 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 29.8 p -108.81 166.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.8 138.72 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.725 HD23 ' C ' ' A' ' 41' ' ' PHE . 5.2 mt -75.28 157.67 34.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.3 pp -150.96 142.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.11 136.35 17.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 37.0 t -39.46 134.48 1.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.12 2.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 55' ' ' PHE . 25.1 mt -122.2 20.28 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 41.32 36.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 3.8 p -64.53 -26.72 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.06 44.81 1.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.45 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.623 HG12 HD22 ' A' ' 30' ' ' LEU . 59.6 t -97.92 117.64 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.725 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.9 p90 -133.95 170.78 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' LYS . 76.3 m-70 -74.88 133.53 41.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.403 ' HB2' HG12 ' A' ' 31' ' ' ILE . 1.3 t -40.06 -42.46 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.1 p -62.76 -39.8 95.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.2 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -36.09 -52.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -44.19 -51.91 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.62 -50.8 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 46.7 t60 -43.85 -55.82 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' HIS . 38.9 mtt180 -38.26 -45.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.0 mt -52.45 -43.17 64.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' CYS . 11.8 mt -81.08 -52.36 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.6 t -32.76 131.65 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -31.79 19.88 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.646 2.23 . . . . 0.0 112.408 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 37' ' ' CYS . 10.9 m-85 -60.82 -37.4 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.2 tt0 -38.13 131.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.65 124.15 19.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' HG2' ' A' ' 73' ' ' ARG . 16.2 m -134.61 146.97 61.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.7 Cg_endo -69.78 145.11 56.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.0 t -46.77 131.3 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 80' ' ' LEU . 12.5 mt -35.75 -43.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.447 HD21 ' CD2' ' A' ' 80' ' ' LEU . 1.8 m-80 -94.21 44.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' CYS . 37.6 t -68.47 -30.9 69.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.2 -53.74 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -54.14 -41.12 68.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.18 54.61 0.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -91.4 110.63 44.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -91.61 120.43 32.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 59' ' ' PRO . 17.9 p -127.2 132.97 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.178 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.484 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -157.22 179.48 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.64 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -60.99 156.89 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.678 ' HG2' HG11 ' A' ' 58' ' ' VAL . 7.9 mmt85 -63.62 -36.39 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -83.29 7.32 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 21.0 mmmt -115.35 -33.43 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 72' ' ' ALA . 13.3 m -48.8 -21.97 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.76 -37.21 85.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.047 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.62 -46.36 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -59.52 -36.6 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 61' ' ' LEU . 19.3 mt -54.69 -36.81 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.53 -46.95 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -105.76 24.39 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.9 t -85.87 129.95 52.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -36.6 10.54 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -63.0 -33.45 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.9 m -53.5 -17.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 85' ' ' ALA . 23.6 m 34.09 39.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -146.12 128.66 16.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.07 139.79 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -120.58 92.94 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -67.9 164.9 18.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 52.8 p -129.44 159.29 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 24.1 t -171.47 168.46 6.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 150.47 141.32 3.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 16.5 t -163.77 149.54 11.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.2 t -169.83 168.85 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 165.57 179.4 39.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.66 161.49 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.722 0.296 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -142.1 122.53 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -150.84 144.0 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -113.39 122.85 48.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 5' ' ' LEU . 3.9 pp -70.96 179.72 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -102.54 143.43 32.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.745 ' O ' HG13 ' A' ' 11' ' ' VAL . 43.6 m170 -71.45 119.6 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -60.08 -32.66 71.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 24.5 t60 -75.17 -67.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 63.6 m -45.45 -55.99 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 7' ' ' HIS . 31.2 m -46.88 -32.27 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -114.12 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -126.32 110.42 13.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 15' ' ' SER . 27.3 m -99.28 -40.47 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.1 m -44.97 123.49 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -73.55 -42.63 61.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -82.23 39.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -72.53 134.86 45.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 mtt -130.08 46.3 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.1 m -85.52 138.14 32.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.3 mtt85 -53.52 120.83 23.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 105.47 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.3 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.0 mm-40 -98.16 162.34 22.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 5.7 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 -59.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -48.96 -75.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 22.6 p -128.8 165.93 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.2 p -126.5 171.56 10.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.2 138.68 58.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 42' ' ' HIS . 8.7 mt -86.32 146.94 26.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.7 pp -139.21 138.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.18 139.86 23.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -38.78 133.89 1.04 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.72 21.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' HG22 ' A' ' 36' ' ' VAL . 86.5 mt -111.45 20.03 17.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 35' ' ' LEU . 21.6 m 43.5 36.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -28.0 69.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 41.68 2.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.47 134.33 17.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -104.24 116.86 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.776 ' CE1' ' CD2' ' A' ' 49' ' ' HIS . 3.3 p90 -134.5 153.33 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.548 ' N ' HD23 ' A' ' 30' ' ' LEU . 79.5 m-70 -59.36 132.43 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' HIS . 86.3 p -37.93 -42.78 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.67 -40.1 92.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 32.6 mmtt -66.24 -33.18 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -39.19 -63.57 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -33.89 -40.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -84.36 -49.02 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.776 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 67.9 t60 -50.27 -53.02 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -42.45 -37.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.59 -47.64 84.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.4 mt -78.78 -54.02 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.504 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.9 t -29.65 129.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.3 m-85 -42.71 -29.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.01 136.02 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -63.73 126.72 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.503 HG11 ' HE ' ' A' ' 73' ' ' ARG . 14.7 m -137.95 144.19 42.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 144.96 55.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.1 t -44.77 130.29 7.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -41.19 -38.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -87.13 39.65 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -58.34 -41.92 85.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -41.86 13.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.67 -37.32 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 119.52 32.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 10.6 t -80.32 112.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -24.63 29.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -49.01 139.61 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -144.25 124.68 13.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.65 -178.26 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 169.65 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.503 ' HE ' HG11 ' A' ' 58' ' ' VAL . 15.3 tpp85 -78.75 -36.13 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.58 6.93 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -123.0 -28.08 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.35 -26.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.6 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.33 -34.82 79.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.84 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' CYS . 14.7 t60 -69.44 -37.3 77.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD11 HD12 ' A' ' 61' ' ' LEU . 85.7 mt -59.02 -30.78 68.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.0 -36.61 84.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.4 ' SD ' ' C ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -105.96 -3.66 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 79' ' ' HIS . 29.0 t -62.86 135.85 96.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -43.5 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.85 -30.81 70.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 87' ' ' VAL . 5.2 t -65.2 -14.29 60.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.9 m 33.29 47.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.3 p -128.84 91.3 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.91 158.23 11.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -7.07 20.15 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.294 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.2 m -41.53 -53.9 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 t -106.42 -51.57 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.443 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 70.5 m -136.09 142.76 44.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.1 t -168.84 149.86 4.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -167.86 143.62 8.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 30.0 p -159.33 168.91 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.9 p -174.7 160.17 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 156.85 105.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 tpt -120.9 113.32 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -137.09 130.11 30.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.7 141.74 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.23 151.0 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.34 175.78 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.48 178.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.709 ' O ' HG13 ' A' ' 11' ' ' VAL . 33.4 m170 -118.72 122.87 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.718 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.3 t -44.21 -46.94 9.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.597 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 35.9 t60 -65.46 -64.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 58.6 m -44.63 -56.63 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 8' ' ' SER . 16.1 m -47.28 -25.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -121.79 35.64 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -125.02 102.63 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 m -104.45 29.32 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -104.17 154.39 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -97.2 -53.82 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -84.58 29.27 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -55.57 117.89 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.5 mtt -115.79 59.58 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 m -101.67 143.91 31.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 9.2 ttm105 -59.11 121.1 52.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.69 2.62 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.14 161.85 24.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 5.58 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.81 -57.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.8 mp -46.74 -66.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.597 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 4.9 p -139.61 164.61 29.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.7 p -123.92 173.86 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.76 157.07 35.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.1 mt -103.15 141.26 36.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.31 155.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.13 138.93 14.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -39.67 133.7 1.33 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.15 6.11 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.308 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.3 mt -118.98 17.61 13.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.7 m 45.13 35.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -62.93 -27.33 69.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.13 48.87 1.39 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.7 134.98 14.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG12 HD22 ' A' ' 30' ' ' LEU . 94.7 t -106.31 117.42 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.704 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -133.8 167.46 20.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' LYS . 55.1 m-70 -70.39 129.62 39.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' HIS . 53.8 p -35.05 -40.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.9 p -67.3 -45.49 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' HIS . 25.4 mmtt -62.04 -33.01 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.74 -55.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -40.76 -51.78 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.1 -53.16 13.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.629 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t60 -42.39 -56.06 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -40.78 -37.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.45 -44.28 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.4 mt -81.24 -51.36 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LEU . 43.9 t -32.65 130.09 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -36.78 10.1 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -56.36 -32.26 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 58' ' ' VAL . 5.2 tm-20 -42.71 127.55 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -62.38 113.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.608 HG21 ' HG2' ' A' ' 73' ' ' ARG . 27.7 m -122.1 146.42 46.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 0.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.63 57.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' SER . 4.2 t -44.84 122.14 3.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 60' ' ' CYS . 6.1 mt -33.38 -40.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -86.78 44.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' CYS . 24.9 p -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -48.67 -40.87 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.61 41.91 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 3.3 t -93.16 109.23 38.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.6 Cg_endo -69.76 -10.26 28.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.65 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 20.9 m-85 -57.23 136.35 56.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.8 p -138.46 132.54 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.83 176.01 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -67.29 149.85 49.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.608 ' HG2' HG21 ' A' ' 58' ' ' VAL . 2.3 mtp85 -54.58 -38.5 66.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -83.12 10.3 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.648 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 3.9 mptp? -123.01 -27.75 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -43.62 -46.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.85 -63.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -45.25 -47.21 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.0 t60 -59.8 -50.1 75.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.7 mt -44.89 -34.82 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.83 -47.17 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.4 ptm -109.18 26.92 10.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.19 132.32 41.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -44.53 2.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -47.04 -30.68 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -83.08 37.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 86' ' ' SER . 21.5 m 34.28 40.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.1 p -93.4 171.97 8.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -114.34 -156.5 11.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 162.57 41.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t -109.35 124.99 51.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 m -89.08 41.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.465 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 44.6 p -158.99 119.2 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.9 t -159.84 177.01 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -111.66 -135.87 6.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 25.2 p -144.7 169.24 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.6 m -168.32 171.86 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 134.21 94.47 0.5 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.36 132.67 54.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -156.52 126.48 6.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -135.83 170.33 16.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.78 141.92 51.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.7 mt -123.22 177.26 5.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 21.8 pt20 -74.21 171.49 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 31.3 m170 -122.32 112.49 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.622 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.3 t -34.73 -44.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 31.4 t60 -69.87 -68.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 m -43.93 -55.21 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 8' ' ' SER . 16.2 m -46.01 -27.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' SER . 23.4 p30 -120.46 36.53 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -128.49 121.91 29.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.69 -25.25 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -54.89 123.9 14.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 18.7 ttp-105 -65.97 -56.62 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -79.66 43.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.793 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -61.27 117.9 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.9 ptp -109.65 41.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.2 m -87.84 136.67 32.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 21.5 ttm105 -58.42 119.76 38.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.07 6.92 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.4 mm-40 -104.3 162.77 18.86 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.648 0.737 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 14.4 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.695 2.264 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.91 -53.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -53.43 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.072 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.527 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 43.6 t -129.67 157.75 41.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 15.4 p -122.41 172.48 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.12 150.9 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 18' ' ' CYS . 9.5 mt -95.61 141.09 29.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.754 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.51 139.83 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.08 144.76 30.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -45.82 133.88 6.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.617 0.722 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -5.03 15.21 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 36' ' ' VAL . 52.0 mt -111.47 17.76 19.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.9 m 44.89 34.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 p -62.21 -25.91 68.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.05 46.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.45 140.66 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 58.7 t -110.03 117.19 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' CE2' ' CD2' ' A' ' 49' ' ' HIS . 3.0 p90 -134.4 155.02 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' N ' HD23 ' A' ' 30' ' ' LEU . 69.4 m-70 -57.98 133.77 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.3 p -40.13 -42.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.5 p -66.61 -36.75 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.9 mmtm -71.53 -36.01 70.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -33.21 -65.63 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -37.13 -48.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -72.83 -56.4 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.681 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 17.8 t60 -41.68 -55.48 2.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' HIS . 56.4 mtp180 -35.91 -44.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.91 -51.45 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.673 HD12 ' H ' ' A' ' 52' ' ' LEU . 2.8 mp -77.09 -42.54 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LEU . 48.7 t -33.76 129.54 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.29 37.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.3 m-85 -82.74 -49.06 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 8.7 tp10 -34.53 140.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -59.32 126.36 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 71' ' ' MET . 22.0 m -136.2 142.34 39.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.633 0.73 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 147.06 61.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.5 t -45.97 130.88 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.991 HD12 HD11 ' A' ' 80' ' ' LEU . 12.1 mt -38.84 -40.88 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 3.1 p30 -88.69 42.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -61.85 -18.03 58.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.53 -41.71 68.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -60.33 -37.37 80.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.27 47.23 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.436 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.0 t -97.56 109.44 50.47 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -12.42 32.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -62.07 136.64 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 p -140.74 131.11 25.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.466 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.25 178.87 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.461 ' HB3' ' CG ' ' A' ' 75' ' ' LYS . . . -58.19 151.22 19.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.857 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.0 tpt180 -60.69 -38.56 85.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 5.15 14.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 72' ' ' ALA . 39.6 mmtm -113.14 -22.63 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' ARG . 27.6 m -59.17 -24.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.13 88.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.49 -46.54 38.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -61.97 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 61' ' ' LEU . 25.6 mt -43.82 -40.79 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.34 -42.6 91.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.85 18.43 21.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.1 t -87.54 137.52 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.663 0.744 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.74 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.97 -31.15 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.504 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.9 m -61.54 -16.4 47.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.7 m 29.58 49.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -137.79 129.97 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.44 171.64 6.68 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.07 4.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' SER . 4.8 m -117.74 107.23 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' SER . 6.0 m -36.14 123.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.6 t -41.14 -50.72 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 54.0 p -174.24 167.01 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 147.4 -139.55 7.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.445 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.9 t 62.52 41.45 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 m -101.09 135.3 42.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -158.11 109.72 0.41 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mmt -132.45 141.75 48.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.322 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 2' ' ' GLU . 2.9 pp20? -147.04 130.57 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -108.36 101.02 10.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -48.09 125.2 8.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.45 171.09 9.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' HB2' HG12 ' A' ' 11' ' ' VAL . 3.8 mp0 -62.21 -175.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.929 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.7 m170 -97.35 133.22 42.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.513 ' C ' HG22 ' A' ' 11' ' ' VAL . 52.1 m -44.17 -33.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 20.1 t60 -86.93 -68.95 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 38.4 m -40.36 -42.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' HIS . 23.9 m -42.17 -42.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' HG23 ' A' ' 11' ' ' VAL . 94.1 m-20 -113.42 40.13 2.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.75 121.29 36.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -118.65 -40.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -48.76 134.12 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -76.05 -43.17 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -82.1 41.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.862 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -66.9 115.57 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.1 ptp -106.44 45.88 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -90.83 135.84 33.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttm-85 -58.31 120.39 43.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 108.67 2.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.6 mm-40 -94.97 164.75 18.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.656 0.741 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 7.8 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -167.5 -53.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 1.9 mp -50.26 -62.16 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 111.17 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLU . 38.6 t -135.31 159.07 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 17.5 p -124.93 171.25 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.15 159.59 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.5 mt -102.1 147.46 26.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.64 156.54 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.65 142.96 16.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 49.3 t -47.03 135.23 8.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.739 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -1.56 8.71 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.258 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 81.6 mt -117.34 19.28 14.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 35' ' ' LEU . 28.9 m 42.44 37.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.34 -19.65 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.48 51.72 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.61 120.2 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 30' ' ' LEU . 87.4 t -92.24 116.93 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.9 p90 -134.19 169.75 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -70.81 140.2 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -50.68 -37.7 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 20.0 p -67.17 -35.5 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.4 mmtt -73.99 -34.55 64.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -37.58 -34.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.4 -45.1 95.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 49' ' ' HIS . 9.1 pt-20 -83.35 -37.81 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 43.4 t60 -56.46 -53.31 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.0 ptt85 -38.66 -35.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.43 -50.83 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' CYS . 6.3 mt -74.76 -46.44 37.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.4 t -31.56 126.43 0.32 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.96 23.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 4.2 m-85 -66.73 -39.86 88.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PHE . 5.9 tp10 -37.44 140.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -66.82 126.25 28.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.04 146.42 43.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.629 0.728 . . . . 0.0 111.162 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' CYS . 54.1 Cg_endo -69.72 145.1 56.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' PRO . 53.4 t -35.94 134.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 80' ' ' LEU . 17.6 mt -44.93 -37.07 3.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -95.96 43.41 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.7 p -56.57 -45.01 81.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -47.38 -46.25 25.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -53.05 -43.51 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.33 50.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.3 111.03 61.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.88 31.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.9 m-85 -57.05 132.38 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 p -134.59 127.41 31.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -176.51 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -62.41 145.55 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -56.71 -20.28 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -92.79 -30.43 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -76.83 -23.83 52.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 72' ' ' ALA . 3.3 m -42.7 -33.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.15 -41.37 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.7 t60 -68.61 -42.0 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 61' ' ' LEU . 22.9 mt -53.02 -32.46 46.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.22 -43.7 92.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.2 ptp -112.47 25.11 11.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.0 t -85.87 134.76 38.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -38.79 7.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -59.95 -38.64 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 87' ' ' VAL . 5.2 t -52.09 -18.62 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 85' ' ' ALA . 34.1 m 33.58 38.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.3 t -114.49 127.94 56.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.68 -177.57 32.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 93.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.8 p 46.25 42.02 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 m -75.29 -44.29 46.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.1 p -173.14 164.04 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 91.1 p -171.43 154.05 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 154.72 135.28 2.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.1 t -156.5 167.49 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.396 . . . . 0.0 110.83 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.7 t -102.36 -54.04 2.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 93.21 48.56 2.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -125.06 74.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.34 138.64 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -113.42 147.38 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -110.31 124.24 51.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.5 mt -108.84 169.28 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 1.5 mp0 -54.22 160.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.61 ' O ' HG13 ' A' ' 11' ' ' VAL . 34.6 m170 -83.95 134.9 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 11' ' ' VAL . 40.6 t -59.92 -67.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' CYS . 8.9 t60 -44.58 -49.01 10.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.828 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' CYS . 71.2 m -55.57 -64.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 8' ' ' SER . 29.8 m -47.97 -19.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -106.72 -16.46 14.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' HIS . 53.7 t -83.29 120.5 25.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.88 -39.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -46.09 161.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 25.0 ttm105 -100.99 -44.36 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.75 42.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -73.43 129.3 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -128.24 42.71 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.4 m -83.73 142.93 30.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.62 121.12 46.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.56 2.59 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -98.45 162.08 23.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.713 0.768 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 11.15 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -164.82 -55.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -53.49 -73.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 41.0 t -122.18 163.31 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 12.0 p -132.83 167.31 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.73 148.07 40.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.568 HD23 ' C ' ' A' ' 41' ' ' PHE . 6.7 mt -97.74 148.84 22.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -142.05 139.21 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' CYS . . . -78.68 137.39 19.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 5.8 t -35.91 134.16 0.54 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -6.88 19.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 55' ' ' PHE . 2.9 mp -112.05 21.23 16.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.6 m 42.18 37.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.4 p -63.57 -27.73 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.18 40.88 2.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.42 131.57 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG12 HD22 ' A' ' 30' ' ' LEU . 94.1 t -103.45 117.39 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.745 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.9 p90 -133.02 158.58 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.532 ' N ' HD23 ' A' ' 30' ' ' LEU . 61.2 m-70 -61.51 128.61 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 88.1 p -36.62 -39.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.0 p -69.23 -44.41 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' HIS . 13.0 mmmt -64.91 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -39.86 -62.85 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' ALA . 14.1 m-20 -37.39 -34.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -88.31 -39.29 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.745 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 52.7 t60 -58.52 -51.72 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -42.72 -39.72 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.1 -42.21 72.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt -85.06 -50.99 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.7 t -32.83 130.32 0.34 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -30.5 21.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 35' ' ' LEU . 7.3 m-85 -64.24 -37.13 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -44.06 139.19 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -64.74 124.77 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.859 HG21 ' HG3' ' A' ' 73' ' ' ARG . 23.2 m -135.72 148.27 64.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.4 Cg_endo -69.83 145.53 57.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.349 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' SER . 17.3 t -46.2 132.0 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 80' ' ' LEU . 12.7 mt -36.33 -52.5 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.686 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 12.2 p30 -83.54 38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' CYS . 41.9 t -58.03 -42.48 85.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -42.95 -44.64 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -55.15 -37.11 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 39.38 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.26 109.11 35.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -13.68 34.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -61.29 135.84 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 59' ' ' PRO . 21.9 p -139.55 131.81 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -160.36 -177.49 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -66.45 145.93 55.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.859 ' HG3' HG21 ' A' ' 58' ' ' VAL . 38.2 mtt-85 -53.64 -45.66 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -76.14 6.91 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -120.04 -23.8 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' ALA . 77.8 t -48.32 -46.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.07 -66.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -41.06 -44.14 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -65.94 -50.38 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 61' ' ' LEU . 32.7 mt -41.28 -35.85 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.7 -46.42 84.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -103.38 22.13 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 t -88.8 133.64 35.38 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.686 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -52.66 -29.87 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.04 40.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -43.57 -24.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.183 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -119.56 46.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . -80.95 -139.4 2.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.7 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 90' ' ' PRO . 39.5 t -32.68 124.19 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 m -73.98 -55.89 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.2 m -150.6 128.23 11.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 6.8 t -170.27 160.3 7.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 142.26 131.63 2.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.3 m -152.1 112.08 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.3 t -163.81 129.06 2.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -134.43 111.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.01 178.08 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.31 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -114.77 142.41 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -96.73 135.63 38.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -76.89 126.64 31.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.85 178.18 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -108.51 175.96 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.605 ' O ' HG13 ' A' ' 11' ' ' VAL . 22.4 m170 -119.31 112.44 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 11' ' ' VAL . 26.5 t -37.5 -43.68 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 26.0 t60 -69.9 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.4 m -44.88 -54.57 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 8' ' ' SER . 15.1 m -46.79 -26.57 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 8' ' ' SER . 22.5 p30 -120.0 36.31 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.2 t -125.86 137.22 53.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.46 -32.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -47.4 121.96 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -63.21 -50.81 68.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.46 41.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -62.08 104.25 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 22.5 ptp -96.32 45.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -90.78 121.97 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -42.58 120.03 2.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.382 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' SER . 9.8 tp10 -99.95 140.79 21.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.436 ' HD2' ' CD ' ' A' ' 23' ' ' GLU . 53.7 Cg_endo -69.78 88.95 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 127.78 -36.25 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -92.49 -56.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 16.8 p -143.85 139.53 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 28.5 p -102.09 166.86 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.2 145.44 49.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.7 mt -78.81 143.35 36.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -137.0 130.84 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.12 147.51 47.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.4 t -54.72 134.44 64.94 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.85 17.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 73.6 mt -111.87 18.15 19.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 42.07 35.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.075 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 55' ' ' PHE . 1.2 p -65.04 -23.83 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.51 50.29 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.13 27.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.761 HG12 HD22 ' A' ' 30' ' ' LEU . 52.3 t -116.45 116.57 52.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' C ' HD23 ' A' ' 30' ' ' LEU . 1.4 p90 -134.38 166.22 23.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' LYS . 51.3 m-70 -71.28 131.95 44.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 42' ' ' HIS . 64.3 p -33.87 -43.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.3 p -70.78 -46.24 63.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' HIS . 54.1 mmtt -58.86 -37.2 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -33.62 -45.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.048 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.44 -49.69 66.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 4.8 pt-20 -74.98 -31.34 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.679 ' CD2' ' CE1' ' A' ' 41' ' ' PHE . 39.9 t60 -58.66 -53.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' ' CD ' ' A' ' 56' ' ' GLU . 71.2 mtt180 -37.61 -49.62 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -40.01 -48.42 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD12 ' H ' ' A' ' 52' ' ' LEU . 1.8 mp -86.74 -38.81 16.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -33.07 116.33 0.43 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.662 0.744 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 37' ' ' CYS . 3.6 m-85 -103.05 -48.31 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 1.6 pt-20 -34.91 146.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -65.76 128.74 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.82 HG21 ' HG2' ' A' ' 73' ' ' ARG . 17.0 m -141.92 148.99 51.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.8 Cg_endo -69.71 146.5 60.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.271 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 t -48.65 132.77 17.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 80' ' ' LEU . 55.3 mt -40.14 -44.22 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -82.88 40.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.6 p -59.32 -45.73 90.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.68 -47.78 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -54.66 -35.07 63.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.98 45.66 0.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 5.1 t -94.65 109.38 43.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.74 -9.48 26.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 56.4 m-85 -68.51 138.85 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 59' ' ' PRO . 24.6 p -141.02 134.91 30.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.454 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -161.09 -175.24 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -63.83 144.69 56.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.82 ' HG2' HG21 ' A' ' 58' ' ' VAL . 7.3 mmt85 -51.23 -27.59 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.94 -14.74 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . 28.8 mmtt -99.59 10.51 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 72' ' ' ALA . 18.8 m -78.52 -30.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -62.97 -64.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -41.49 -34.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.429 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 8.0 t60 -81.2 -37.08 29.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.615 HD11 HD12 ' A' ' 61' ' ' LEU . 17.9 mt -50.53 -44.66 56.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -51.22 -45.17 61.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -91.51 -12.01 35.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 79' ' ' HIS . 44.2 t -61.11 123.96 78.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -37.38 9.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.95 -27.01 50.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -83.68 37.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' SER . 32.8 m 36.61 39.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -112.96 123.85 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -79.51 -154.04 8.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 99.71 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.365 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -121.63 135.57 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 m -104.52 153.86 20.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 82.5 p -150.63 160.81 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.807 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 71.1 m -144.17 138.13 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 167.8 138.23 2.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.445 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.8 m -162.41 137.7 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.0 m -169.01 172.53 7.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 172.33 135.09 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm -123.64 119.71 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.297 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.34 119.9 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -148.87 130.32 14.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -97.7 138.78 34.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.84 175.65 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -52.45 168.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.8 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.3 m170 -115.62 134.03 55.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.495 ' C ' HG22 ' A' ' 11' ' ' VAL . 2.9 m -55.35 -31.33 61.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -84.73 -69.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 50.1 m -41.24 -47.22 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.8 HG13 ' O ' ' A' ' 7' ' ' HIS . 10.3 m -41.94 -42.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -111.54 40.26 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.6 t -126.79 125.05 41.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -130.05 27.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -99.07 124.67 44.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -63.44 -53.32 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -91.33 32.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.814 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.4 t -39.08 104.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.95 44.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.9 m -101.65 130.45 48.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -53.92 116.3 9.93 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 105.92 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.9 mm-40 -88.81 162.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 12.32 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CD2' ' A' ' 7' ' ' HIS . . . -162.07 -53.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -59.77 -77.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 23' ' ' GLU . 33.4 t -108.96 151.79 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 20.9 p -125.85 169.64 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.19 159.42 14.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 18' ' ' CYS . 10.2 mt -104.88 151.28 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -147.97 127.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.37 140.53 37.47 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -38.76 133.92 1.03 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.54 3.43 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.234 . . . . 0.0 112.326 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' O ' HG22 ' A' ' 36' ' ' VAL . 74.9 mt -120.99 17.92 11.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.2 m 45.19 35.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 p -63.26 -26.13 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.15 50.94 1.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.85 134.09 10.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG12 HD22 ' A' ' 30' ' ' LEU . 57.3 t -105.47 116.81 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.1 p90 -134.58 157.34 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 45' ' ' LYS . 52.4 m-70 -59.96 130.8 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 74.2 p -34.44 -42.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 18.2 p -66.24 -46.58 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' HIS . 37.7 mmtt -56.55 -40.44 75.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -34.5 -59.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.09 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ALA . 33.0 t0 -36.73 -50.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -77.12 -53.0 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.673 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 44.8 t60 -40.42 -50.21 2.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -44.93 -39.74 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.7 mt -53.99 -47.06 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.9 mp -80.92 -53.31 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.486 ' C ' ' O ' ' A' ' 52' ' ' LEU . 42.6 t -30.81 130.11 0.26 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.0 m-85 -44.52 -40.5 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' HG13 ' A' ' 58' ' ' VAL . 12.4 tp10 -42.95 135.88 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -58.56 128.41 37.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.686 HG11 ' NH2' ' A' ' 73' ' ' ARG . 14.6 m -143.79 143.52 23.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.88 61.7 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 40.9 t -43.78 138.7 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.807 HD12 HD11 ' A' ' 80' ' ' LEU . 15.3 mt -46.14 -37.7 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.669 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.8 p30 -94.58 33.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -60.72 -38.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.27 -26.9 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.22 -37.75 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.72 37.63 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.23 112.65 58.29 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.632 0.729 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -27.74 26.15 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' CE1' ' A' ' 79' ' ' HIS . 50.1 m-85 -46.76 134.31 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -139.05 128.34 24.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.142 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -162.83 -177.63 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -60.42 152.37 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.686 ' NH2' HG11 ' A' ' 58' ' ' VAL . 23.9 ttm105 -63.44 -35.88 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -86.13 9.55 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -121.23 -21.08 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG12 ' HG ' ' A' ' 80' ' ' LEU . 42.2 t -48.72 -45.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -42.86 -64.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -40.0 -29.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' CYS . 17.1 t60 -89.79 -38.91 13.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD11 HD12 ' A' ' 61' ' ' LEU . 36.3 mt -48.42 -49.1 36.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -53.09 -32.9 49.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.2 ptm -110.72 12.47 22.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.4 t -80.39 135.55 53.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.669 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -56.43 -25.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 88' ' ' SER . 2.1 m -63.47 -17.96 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' SER . 20.2 m 35.11 35.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' SER . 94.4 p -94.9 167.24 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.95 167.9 4.14 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.287 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 m -86.87 81.24 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.3 p -134.0 138.87 45.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' -4' ' ' SER . 81.7 p -136.21 174.51 10.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' -5' ' ' SER . 79.1 p 35.53 42.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -125.05 129.4 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.3 t -139.84 153.83 47.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.92 0.39 . . . . 0.0 110.804 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.7 m -144.96 161.71 38.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -171.1 162.99 35.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtp -152.17 167.89 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.309 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -138.76 172.45 12.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -173.78 145.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -83.58 154.55 23.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.3 mt -105.57 173.03 6.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -74.45 162.37 28.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.806 ' O ' HG13 ' A' ' 11' ' ' VAL . 13.6 m170 -118.57 129.12 55.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.533 ' C ' HG22 ' A' ' 11' ' ' VAL . 33.8 m -46.49 -36.46 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' A' ' 27' ' ' SER . 45.6 t60 -82.69 -69.83 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 28.7 m -41.38 -48.01 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 7' ' ' HIS . 18.1 m -41.84 -41.26 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -109.9 39.81 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -130.27 128.75 42.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 15' ' ' SER . 28.0 m -123.06 -43.43 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.1 t -44.81 125.29 4.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -28.72 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -89.76 36.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -72.1 135.3 46.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.8 mtm -133.99 58.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.9 m -101.44 133.29 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -50.61 119.89 12.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.638 0.733 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 123.06 9.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 2.1 mm-40 -120.18 155.45 55.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 79.21 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.13 -38.72 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 26' ' ' ILE . 2.9 mp -80.4 -75.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' A' ' 9' ' ' HIS . 3.1 m -122.63 164.78 17.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.8 p -137.5 156.79 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.54 148.36 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 41' ' ' PHE . 8.7 mt -95.14 142.82 27.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -135.76 138.83 47.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.82 140.84 24.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 t -40.15 133.98 1.48 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.72 7.35 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 36' ' ' VAL . 80.6 mt -115.88 18.24 15.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 35' ' ' LEU . 22.7 m 44.8 35.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -64.75 -24.1 67.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.04 53.73 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.26 129.78 6.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD22 ' A' ' 30' ' ' LEU . 62.1 t -103.17 117.4 48.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.69 ' C ' HD23 ' A' ' 30' ' ' LEU . 2.6 p90 -134.15 169.37 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 63.4 m-70 -70.41 126.27 29.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' ' CG1' ' A' ' 31' ' ' ILE . 84.2 p -34.59 -40.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 16.6 p -66.78 -46.39 75.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' HIS . 30.1 mmtt -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -37.25 -55.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -42.41 -44.32 3.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -79.34 -48.41 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 31.8 t60 -46.15 -55.03 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -39.61 -42.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -54.66 -41.53 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 10.5 mt -82.84 -47.59 11.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 38.5 t -33.87 129.91 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.8 Cg_endo -69.71 -25.46 28.81 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.1 m-85 -74.21 -33.73 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 58' ' ' VAL . 1.6 tm-20 -41.5 127.28 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -58.15 122.77 13.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.601 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.5 m -139.49 148.69 57.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 147.73 63.58 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.0 t -46.21 131.28 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.976 HD12 HD11 ' A' ' 80' ' ' LEU . 19.1 mt -35.67 -48.79 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -84.17 49.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.5 p -67.77 -44.61 77.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -33.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.74 -39.69 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.99 36.33 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.0 t -84.7 110.78 30.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.721 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.7 Cg_endo -69.78 -0.58 7.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.591 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 46.2 m-85 -75.03 132.46 41.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.5 p -136.35 127.34 27.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.89 -178.5 6.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' ' 76' ' ' VAL . . . -57.79 160.51 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.601 ' HG3' HG21 ' A' ' 58' ' ' VAL . 42.6 mtt-85 -69.16 -21.6 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -94.85 -16.95 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -90.06 -16.37 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 72' ' ' ALA . 4.4 m -55.48 -28.31 22.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.61 -58.0 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.76 -25.06 6.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 16.2 t60 -92.91 -31.1 15.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.976 HD11 HD12 ' A' ' 61' ' ' LEU . 14.2 mt -59.26 -39.84 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.58 -24.71 67.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.6 ptp -119.86 15.99 12.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' HIS . 3.4 t -84.54 139.63 38.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.625 0.726 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.286 . . . . 0.0 112.318 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.96 -23.21 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 87' ' ' VAL . 2.4 m -87.64 40.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' SER . 26.6 m -35.46 -41.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 87' ' ' VAL . 86.4 p 39.83 43.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -85.83 145.86 21.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 93.33 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 t -77.15 -58.22 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.1 p -54.28 -44.24 71.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.7 p -164.13 124.95 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.367 . . . . 0.0 110.854 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 17.4 m -122.08 162.24 21.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -175.54 122.37 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.4 t -150.86 142.46 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.2 p -155.25 145.67 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -164.83 138.39 5.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mtt -141.99 119.3 11.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -141.43 148.04 38.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -129.32 173.97 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -123.57 134.14 53.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.09 178.4 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 13.8 pt20 -57.27 171.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 22.8 m170 -121.98 107.99 12.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.3 t -32.5 -48.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.464 ' CB ' ' OG ' ' A' ' 27' ' ' SER . 50.8 t60 -65.79 -67.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 m -44.18 -56.48 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 8' ' ' SER . 22.6 m -46.19 -26.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -118.92 36.22 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 t -134.76 117.22 15.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.28 31.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.8 t -104.39 141.29 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -85.92 -39.03 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -93.79 27.22 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -58.02 126.16 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 38.9 mmm -122.47 53.04 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -94.59 146.05 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ttt85 -65.89 120.37 68.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 122.28 8.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 mm-40 -120.21 154.25 55.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 54.3 Cg_endo -69.72 78.66 0.98 Allowed 'Trans proline' 0 C--O 1.23 0.117 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.4 -36.32 2.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.1 mp -83.28 -71.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.464 ' OG ' ' CB ' ' A' ' 9' ' ' HIS . 3.5 m -126.71 164.69 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.9 p -136.36 160.0 40.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.78 157.71 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.56 HD22 HG12 ' A' ' 40' ' ' VAL . 9.0 mt -104.32 143.87 32.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.42 142.97 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.45 139.39 20.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.5 t -39.84 133.83 1.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.724 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -8.76 24.42 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.363 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.7 mt -109.7 18.44 20.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.1 m 44.01 35.8 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -25.29 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 48.99 1.77 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -153.75 130.06 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.56 HG12 HD22 ' A' ' 30' ' ' LEU . 92.5 t -101.04 116.76 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.8 p90 -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' LYS . 70.3 m-70 -59.74 133.07 55.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.6 p -37.18 -43.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.7 p -69.18 -39.64 78.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' HIS . 21.5 mmtt -67.54 -19.27 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -55.64 -39.98 71.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -60.38 -33.16 72.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' OE2' ' CD ' ' A' ' 45' ' ' LYS . 4.3 pt-20 -91.01 -27.17 18.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.544 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 57.3 t60 -66.63 -48.69 68.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -44.35 -29.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.58 -49.93 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.553 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.2 mp -82.47 -44.56 15.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 49' ' ' HIS . 50.1 t -33.73 123.98 0.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.465 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 4.5 m-85 -47.39 -37.73 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -41.13 138.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -64.14 125.19 23.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 73' ' ' ARG . 13.4 m -142.86 145.18 32.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 146.87 61.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 63' ' ' SER . 10.0 t -40.54 130.92 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.773 HD12 HD11 ' A' ' 80' ' ' LEU . 18.6 mt -38.59 -43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -93.65 40.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.4 t -59.73 -47.07 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -41.76 -46.68 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -53.28 -41.81 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.17 48.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -108.42 110.74 61.68 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -15.77 37.34 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.613 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 41.6 m-85 -54.01 132.26 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.7 p -136.53 128.91 30.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.95 177.05 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -57.88 134.52 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.1 ttm105 -39.46 -33.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -78.35 -42.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -60.24 -31.58 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 73' ' ' ARG . 3.0 m -42.54 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.7 -38.64 56.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.613 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 26.6 t60 -67.4 -49.96 61.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 61' ' ' LEU . 21.6 mt -46.12 -37.35 6.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -55.07 -42.67 73.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -113.33 23.27 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.9 t -82.33 133.3 50.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.42 2.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 87' ' ' VAL . . . -56.72 -31.84 64.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.516 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.8 m -59.26 -13.89 9.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 87' ' ' VAL . 8.2 m 28.13 50.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -111.1 105.36 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 149.88 169.61 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.73 10.65 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -58.32 154.35 13.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -43.11 -53.76 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 45.6 m -143.89 170.66 15.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 55.8 m -139.69 171.76 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -150.4 130.07 3.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 18.1 m -134.29 145.64 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.4 t -127.19 158.48 36.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -153.28 148.73 19.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -170.76 159.39 6.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -90.43 83.61 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -148.56 108.41 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.95 133.28 56.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.64 -177.72 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -118.41 175.29 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 28' ' ' CYS . 49.1 m170 -105.34 114.89 29.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -55.57 -56.87 15.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 33.0 t60 -48.48 -62.63 1.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -59.72 -34.13 72.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.57 -27.65 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -130.36 35.68 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -112.3 91.49 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.22 29.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.8 t -104.4 129.02 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 ttt-85 -76.18 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -81.19 40.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.769 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.84 131.51 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -126.55 39.55 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.2 m -83.93 140.1 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -54.62 119.28 20.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -80.63 165.26 47.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.85 10.25 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.622 2.215 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 23' ' ' GLU . . . -170.3 -56.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.9 mp -48.57 -62.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.518 ' HB2' ' CG ' ' A' ' 9' ' ' HIS . 40.7 t -124.44 173.45 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 11.3 p -147.02 168.57 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.25 141.81 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 18' ' ' CYS . 7.8 mt -88.95 140.89 28.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -134.38 144.66 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.07 142.61 23.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.9 t -43.65 134.23 3.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 36' ' ' VAL . 77.2 mt -110.49 19.59 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 41.65 36.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 p -63.73 -26.98 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.89 49.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.7 136.81 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.096 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.545 HG12 HD22 ' A' ' 30' ' ' LEU . 86.9 t -107.57 117.47 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.695 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.0 OUTLIER -132.84 158.2 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 45' ' ' LYS . 49.6 m-70 -62.46 133.85 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.818 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -38.25 -39.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.0 p -66.78 -41.0 88.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.8 mmtm -66.17 -41.01 90.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -32.19 -59.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.4 1.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LYS . 16.5 mt-10 -81.72 -52.07 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.695 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 33.7 t60 -39.41 -53.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -38.36 -42.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.74 -52.66 55.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.8 mp -75.02 -46.81 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 51.0 t -32.54 131.32 0.32 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.61 2.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 5.8 m-85 -53.28 -41.86 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.13 139.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.48 127.28 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.848 HG21 ' HG2' ' A' ' 73' ' ' ARG . 22.8 m -139.5 146.14 46.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.06 58.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.713 2.276 . . . . 0.0 112.316 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.4 t -44.41 138.34 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.064 HD12 HD11 ' A' ' 80' ' ' LEU . 13.9 mt -42.15 -46.38 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -91.19 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 t -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -38.57 -53.8 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -49.77 -42.72 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 128.76 53.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 2.9 t -101.03 109.13 57.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.8 Cg_endo -69.76 2.63 3.36 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 53.1 m-85 -78.36 128.25 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 p -133.66 131.91 40.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.492 ' O ' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -163.27 177.67 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -62.58 147.51 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.848 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.1 mmt85 -58.24 -39.69 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -78.2 10.12 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -123.87 -30.2 3.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.8 t -41.33 -44.81 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.02 -57.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.55 -40.98 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 28.2 t60 -64.53 -48.34 75.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.064 HD11 HD12 ' A' ' 61' ' ' LEU . 58.4 mt -45.89 -35.24 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.66 -47.16 85.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -108.83 25.37 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -85.19 137.47 37.17 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -48.08 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.68 2.254 . . . . 0.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.69 -28.49 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 87' ' ' VAL . 24.4 p -60.44 -16.25 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 87' ' ' VAL . 20.6 m 32.06 44.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -131.72 -50.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -45.84 127.89 9.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -6.59 19.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.306 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t -110.69 150.27 29.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -107.72 -55.11 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 98.3 p -173.54 134.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.3 t -169.41 155.02 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -179.63 141.87 4.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 5.0 m -161.75 146.68 13.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 54.2 p -171.15 141.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -169.31 161.53 35.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ptp -163.46 139.68 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -132.75 129.59 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -150.15 131.86 14.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.17 127.85 33.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 5' ' ' LEU . 1.5 pt? -98.51 -178.82 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -76.12 158.09 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.913 ' O ' HG22 ' A' ' 11' ' ' VAL . 35.0 m170 -114.76 112.86 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 18.3 t -43.94 -34.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.541 ' CD2' ' OG ' ' A' ' 27' ' ' SER . 47.8 t60 -77.8 -70.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -42.64 -54.23 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.913 HG22 ' O ' ' A' ' 7' ' ' HIS . 20.8 m -43.58 -33.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.5 p30 -116.05 38.59 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.1 t -131.05 126.2 35.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.6 -39.35 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -44.7 122.33 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -72.71 -25.58 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -94.83 32.93 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.99 122.09 16.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -116.93 40.3 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 83.1 m -81.08 149.06 29.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -66.89 120.79 74.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 106.63 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.117 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.7 mm-40 -96.13 159.35 32.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 10.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.63 -56.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.5 mp -54.35 -77.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.541 ' OG ' ' CD2' ' A' ' 9' ' ' HIS . 23.1 t -120.57 159.29 25.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.8 p -121.57 171.2 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.76 147.65 49.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 18' ' ' CYS . 10.6 mt -94.02 143.6 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.34 150.12 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.163 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.51 143.16 17.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 t -40.68 133.98 1.67 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 0.66 5.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.617 2.211 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 96.0 mt -117.54 19.69 13.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 24.0 m 44.36 36.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.96 -25.43 68.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.39 49.32 1.57 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.8 136.09 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.76 117.38 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.8 p90 -133.91 162.1 32.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CG ' ' SG ' ' A' ' 10' ' ' CYS . 76.0 m-70 -63.82 129.2 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' HIS . 70.6 p -34.08 -44.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 21.6 p -65.82 -46.56 78.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' HIS . 15.1 mmtp -56.85 -39.5 74.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . . . -33.13 -60.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ALA . 5.9 m-20 -35.89 -49.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -77.73 -49.82 13.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 47.3 t60 -43.34 -56.51 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -37.83 -44.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.8 mt -49.67 -51.42 38.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.615 HD12 ' H ' ' A' ' 52' ' ' LEU . 3.2 mp -77.59 -48.73 16.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 52' ' ' LEU . 54.1 t -32.59 131.42 0.32 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.88 -34.23 14.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' HB3' HD13 ' A' ' 35' ' ' LEU . 8.3 m-85 -64.65 -40.18 94.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.51 135.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -64.99 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.665 HG21 ' HG2' ' A' ' 73' ' ' ARG . 12.2 m -132.26 146.52 61.94 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.453 ' SG ' ' ND2' ' A' ' 62' ' ' ASN . 14.8 t -42.8 136.3 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 80' ' ' LEU . 13.4 mt -42.35 -45.13 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.809 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 1.7 p30 -88.19 35.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 60' ' ' CYS . 30.1 t -58.62 -46.06 87.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -43.09 -39.13 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.78 -38.32 87.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.59 36.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.8 t -93.21 111.03 50.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -18.04 37.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 52.5 m-85 -53.42 129.59 32.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.4 p -135.6 128.51 31.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.25 177.79 9.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 147.08 53.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.665 ' HG2' HG21 ' A' ' 58' ' ' VAL . 8.0 mmm180 -53.84 -40.03 66.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -78.79 9.65 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . 1.6 mmmp? -122.99 -32.14 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' LYS . 15.6 t -36.07 -51.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . . . -42.76 -65.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -38.66 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.581 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 12.8 t60 -90.21 -36.19 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 61' ' ' LEU . 15.5 mt -49.58 -49.66 45.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.48 -35.53 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ptm -107.54 13.63 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 79' ' ' HIS . 11.9 t -79.37 135.24 57.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.809 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.45 -25.81 60.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.8 m -71.73 -12.04 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 30.5 m 31.69 47.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.8 t -104.31 111.75 24.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 145.6 19.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 160.77 48.48 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.377 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 p -118.9 147.03 44.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -77.88 91.72 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 25.2 m -153.88 169.41 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.4 m -156.2 173.9 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -122.44 -166.63 12.79 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m -166.58 163.97 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.7 t -169.23 135.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -148.26 147.45 18.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 mmt -125.53 128.5 48.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -126.44 145.07 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -174.03 148.44 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -134.0 140.07 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -114.31 179.85 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -59.69 174.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.871 ' O ' HG22 ' A' ' 11' ' ' VAL . 23.1 m170 -118.52 123.68 45.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' HG22 ' A' ' 11' ' ' VAL . 72.1 m -48.73 -33.47 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 29.5 t60 -80.22 -68.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.6 m -42.2 -52.77 4.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.2 m -43.29 -41.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -107.14 37.77 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 t -129.12 134.59 48.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.3 -39.13 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -44.7 132.27 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -76.68 -41.08 46.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.64 ' NH2' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -85.89 43.33 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -79.03 107.33 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 27.9 mtm -103.44 43.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ARG . 58.3 m -83.14 119.53 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 57.7 ttp85 -37.59 117.72 0.85 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.641 0.734 . . . . 0.0 110.84 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 104.67 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HB ' ' A' ' 26' ' ' ILE . 1.7 tt0 -102.69 141.07 21.75 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.36 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.36 -36.19 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.3 mp -93.54 -58.57 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.555 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.6 p -143.27 148.25 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 30.5 p -110.61 164.4 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.8 155.26 27.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 18' ' ' CYS . 14.0 mt -91.4 144.23 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -139.46 136.77 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.84 142.59 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.3 t -45.83 134.3 6.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -4.99 15.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.542 ' O ' HG22 ' A' ' 36' ' ' VAL . 50.4 mt -111.05 16.19 21.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 35' ' ' LEU . 20.1 m 43.88 33.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -62.63 -27.54 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.94 49.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.98 141.65 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.64 HG21 ' NH2' ' A' ' 17' ' ' ARG . 75.2 t -111.77 116.69 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 3.2 p90 -134.42 161.62 34.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.402 ' N ' HD23 ' A' ' 30' ' ' LEU . 65.9 m-70 -63.05 133.82 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 p -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 10.6 p -68.64 -46.58 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 37.7 mmtt -56.31 -34.23 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -40.54 -64.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' ALA . 65.8 m-20 -34.12 -34.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -89.26 -47.95 7.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 14.2 t60 -52.89 -52.32 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.6 ptm180 -38.46 -41.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 58.8 mt -56.55 -42.51 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.7 mt -82.45 -43.09 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' LEU . 49.0 t -31.02 128.17 0.28 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.691 0.758 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.16 37.21 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 35' ' ' LEU . 3.3 m-85 -87.94 -42.19 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 58' ' ' VAL . 17.0 tp10 -39.01 135.39 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -62.58 124.05 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.62 HG21 ' CG ' ' A' ' 73' ' ' ARG . 15.0 m -133.23 145.6 57.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.4 t -42.69 135.82 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.917 HD12 HD11 ' A' ' 80' ' ' LEU . 19.8 mt -41.3 -49.0 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -82.64 44.05 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -57.92 -44.47 86.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.65 -54.62 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -47.56 -43.67 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.35 39.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 t -83.17 110.88 26.49 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 53.9 Cg_endo -69.79 -4.58 14.34 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -72.16 130.49 40.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 p -135.39 131.1 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.14 177.63 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -57.35 160.01 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.62 ' CG ' HG21 ' A' ' 58' ' ' VAL . 67.6 mtp85 -71.84 -38.26 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -77.19 3.53 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 -23.0 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' ALA . 6.9 t -45.09 -44.95 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -44.39 -63.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.071 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -44.93 -45.21 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -61.65 -47.38 85.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.917 HD11 HD12 ' A' ' 61' ' ' LEU . 93.8 mt -46.91 -37.13 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.73 -41.76 78.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ptm -113.72 23.37 13.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.26 139.52 45.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -42.97 2.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.96 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.496 ' O ' ' C ' ' A' ' 87' ' ' VAL . 3.6 m -69.84 -13.96 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 87' ' ' VAL . 23.7 m 29.76 49.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 p -149.34 118.74 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.38 130.25 2.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.66 27.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 98.7 p -143.71 169.12 18.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.7 t -98.58 -45.61 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 2.9 m -162.46 127.4 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.3 m -159.78 161.15 34.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.25 118.4 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 88.8 p -131.11 139.18 49.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.9 t -168.53 126.45 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -151.98 176.4 30.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 144.55 10.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -139.53 141.68 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -137.93 114.05 10.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -109.69 127.53 54.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.83 171.18 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 11' ' ' VAL . 47.1 mt-30 -52.92 165.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.791 ' O ' HG22 ' A' ' 11' ' ' VAL . 27.8 m170 -120.74 126.04 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' C ' HG22 ' A' ' 11' ' ' VAL . 56.8 m -47.79 -35.86 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 42.4 t60 -79.68 -69.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 33.6 m -43.38 -52.12 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 7' ' ' HIS . 34.6 m -44.15 -35.23 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -115.97 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -126.3 97.3 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.5 m -99.46 31.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.0 t -104.61 149.45 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -89.59 -60.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.618 HH12 HG21 ' A' ' 40' ' ' VAL . 13.6 mmt-85 -81.94 40.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.869 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -60.3 122.99 15.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.47 47.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -91.65 132.81 36.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -51.29 119.17 12.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 106.37 1.65 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.5 mm-40 -93.16 163.89 23.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 5.66 1.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.04 -54.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 27' ' ' SER . 1.9 mp -50.74 -69.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 26' ' ' ILE . 39.8 t -127.54 159.3 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 13.4 p -124.79 167.87 14.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.34 150.28 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 18' ' ' CYS . 11.1 mt -94.42 151.74 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -140.65 138.46 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.15 159.2 53.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.455 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.03 136.94 95.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -29.4 23.76 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' VAL . 69.4 mt -91.32 14.89 13.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 35' ' ' LEU . 19.6 m 42.08 37.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -67.02 -24.97 66.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.06 56.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.449 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.76 146.54 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.618 HG21 HH12 ' A' ' 17' ' ' ARG . 52.1 t -118.23 118.44 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.731 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 1.5 p90 -131.79 162.82 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' LYS . 74.6 m-70 -68.22 131.32 45.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 92.6 p -37.66 -37.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.3 p -68.42 -42.7 78.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' HIS . 27.1 mmtt -69.27 -28.9 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' HIS . . . -35.48 -65.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.1 t0 -34.12 -51.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.37 -37.41 77.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.731 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 73.2 t60 -53.4 -38.3 63.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -55.83 -13.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.96 -21.15 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.2 mm? -102.4 -47.16 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LEU . 8.4 t -32.45 118.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -7.97 22.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HA ' ' HB1' ' A' ' 72' ' ' ALA . 3.3 m-85 -88.37 -41.73 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -33.46 138.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 56' ' ' GLU . 23.1 ttm180 -64.79 105.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 56' ' ' GLU . 11.4 m -117.83 143.89 33.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.72 146.12 59.47 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 59' ' ' PRO . 28.1 t -35.56 137.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 80' ' ' LEU . 12.4 mt -49.55 -36.32 23.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -93.35 40.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 p -51.07 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -52.68 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -51.01 -42.61 60.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 120.28 46.03 0.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.69 109.68 31.49 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.48 3.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 55.0 m-85 -81.09 141.5 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.4 p -142.14 130.55 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.33 176.03 12.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 55' ' ' PHE . . . -58.85 131.28 50.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -43.78 -24.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -87.58 -37.85 16.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -87.3 26.3 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 72' ' ' ALA . 34.0 m -83.91 -36.74 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -55.32 -55.58 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -46.69 -26.64 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 42.4 t60 -92.69 -38.94 11.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.625 HD11 HD12 ' A' ' 61' ' ' LEU . 31.4 mt -51.77 -46.21 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 82' ' ' MET . 16.2 pt-20 -56.21 -39.58 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.443 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 15.5 ptp -106.21 18.3 22.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' HIS . 4.1 t -86.74 138.79 33.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.31 6.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.14 69.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' VAL . 16.9 p -60.18 -19.14 52.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' SER . 35.0 m 35.92 44.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -111.53 143.28 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -72.74 126.63 10.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.07 3.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -103.81 127.35 51.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 m 56.9 41.87 27.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.452 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 10.3 t -151.13 116.81 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 27.5 p -119.04 140.08 50.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 176.14 129.8 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 29.1 p -133.77 176.57 8.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.9 p -135.35 157.79 46.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 149.73 124.93 1.31 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mmm -132.38 129.26 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -144.17 137.99 27.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -142.38 146.63 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.78 152.7 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.9 mt -115.92 175.14 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -99.58 153.32 19.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.795 ' O ' HG22 ' A' ' 11' ' ' VAL . 31.3 m170 -116.18 123.33 47.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' C ' HG22 ' A' ' 11' ' ' VAL . 35.3 m -48.13 -34.74 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 53.0 t60 -78.82 -69.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 36.5 m -44.73 -53.99 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 7' ' ' HIS . 33.2 m -44.31 -36.24 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -113.44 38.23 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.1 t -126.29 97.54 5.11 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -98.63 27.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -102.68 155.32 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -100.86 -53.54 3.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -83.97 32.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.63 134.83 56.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 mtm -127.93 57.75 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -97.2 132.48 42.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.9 ttm-85 -49.09 119.99 9.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' CB ' ' OD1' ' A' ' 29' ' ' ASP . 53.5 Cg_endo -69.84 107.57 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.2 mm-40 -98.67 162.63 21.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.406 ' HD2' ' OE1' ' A' ' 23' ' ' GLU . 53.4 Cg_endo -69.81 6.95 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.04 -59.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -46.79 -68.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 13.8 p -137.95 164.43 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 21.2 p -125.49 175.28 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -63.82 159.57 19.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 42' ' ' HIS . 13.9 mt -104.99 143.57 33.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.827 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.9 pp -142.67 138.28 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.23 148.71 42.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 24.5 t -53.04 134.23 49.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -6.18 17.99 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.36 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.6 mt -106.33 13.91 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 35' ' ' LEU . 23.2 m 45.32 36.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.1 p -67.36 -23.54 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.14 55.99 1.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.8 135.06 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG12 HD22 ' A' ' 30' ' ' LEU . 93.4 t -105.51 117.26 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.755 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.6 p90 -134.16 149.38 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' HA ' HD23 ' A' ' 30' ' ' LEU . 74.8 m-70 -50.9 133.51 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 90.2 p -35.08 -45.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 14.6 p -64.37 -46.38 83.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 36.2 mmtt -63.83 -9.79 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . . . -67.38 -16.42 64.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -86.56 -30.81 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -93.81 -30.97 14.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.755 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 16.3 t60 -62.22 -42.21 99.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.16 -27.63 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -61.14 -47.07 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.55 HD12 ' H ' ' A' ' 52' ' ' LEU . 2.2 mp -85.23 -40.88 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 52.5 t -32.94 119.94 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.5 Cg_endo -69.75 -15.06 36.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.41 -23.54 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' O ' HG13 ' A' ' 58' ' ' VAL . 4.7 tm-20 -53.59 131.3 38.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -58.81 119.89 8.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.79 HG21 ' HG3' ' A' ' 73' ' ' ARG . 19.2 m -133.71 147.4 64.31 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.626 0.727 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 53.6 Cg_endo -69.79 148.24 64.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' SER . 3.7 t -49.36 131.17 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 HD11 ' A' ' 80' ' ' LEU . 13.0 mt -34.72 -50.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.861 ' OD1' ' HB3' ' A' ' 85' ' ' ALA . 2.4 p30 -85.11 43.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 60' ' ' CYS . 28.7 t -65.62 -42.55 91.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.31 -43.04 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.19 -34.76 68.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.12 38.0 0.51 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.89 109.87 44.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -14.51 36.15 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.661 ' CG ' ' CE1' ' A' ' 79' ' ' HIS . 58.8 m-85 -57.22 125.85 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 59' ' ' PRO . 11.7 p -134.73 127.46 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 -178.62 7.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 75' ' ' LYS . . . -66.33 150.55 48.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.79 ' HG3' HG21 ' A' ' 58' ' ' VAL . 23.7 mtp180 -57.85 -37.65 74.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -80.29 9.05 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 1.2 mptm? -123.67 -25.71 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -43.98 -45.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.98 -66.67 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.75 -49.92 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.661 ' CE1' ' CG ' ' A' ' 69' ' ' PHE . 27.0 t60 -61.19 -49.65 76.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.616 HD11 HD12 ' A' ' 61' ' ' LEU . 39.7 mt -46.71 -36.58 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.24 -35.57 67.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -116.8 18.92 14.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.7 t -81.64 129.59 64.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.634 0.731 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 -49.49 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.861 ' HB3' ' OD1' ' A' ' 62' ' ' ASN . . . -57.5 -20.17 29.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' VAL . 1.1 t -92.48 41.45 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 88' ' ' SER . 26.0 m -33.12 -42.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 87' ' ' VAL . 2.1 t -168.23 135.1 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.95 -142.11 5.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.84 5.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -49.34 94.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.9 t -171.6 142.39 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 74.6 m -114.6 -60.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 2.1 m -173.36 156.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 173.19 95.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 37.9 m -154.91 152.37 29.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.796 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.1 p -171.15 132.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -157.86 119.07 0.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mtt -134.53 120.9 20.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.718 0.294 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -147.35 148.99 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -119.13 132.86 56.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -71.55 162.38 29.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -100.22 169.99 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB2' ' CG1' ' A' ' 11' ' ' VAL . 9.5 pt20 -85.13 -179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.927 ' O ' HG22 ' A' ' 11' ' ' VAL . 28.2 m170 -122.47 124.03 42.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 25.0 p -44.31 -37.92 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' SER . 60.1 t60 -76.95 -69.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' SG ' ' CG ' ' A' ' 42' ' ' HIS . 55.7 m -41.45 -55.97 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.1 m -42.79 -36.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 8' ' ' SER . 27.8 p30 -115.14 39.95 2.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.42 118.79 27.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 15' ' ' SER . 34.5 m -110.09 -39.51 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 14' ' ' VAL . 42.6 m -44.87 125.56 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 -72.74 -50.13 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -81.02 41.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.58 126.41 29.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 mmt -125.29 59.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -100.78 139.8 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.67 115.85 7.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.641 0.734 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 106.89 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.3 mm-40 -94.79 162.8 24.18 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.683 0.754 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 8.16 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.74 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.7 mp -48.78 -70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.069 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.588 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 24.4 p -134.57 165.33 25.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.804 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 14.2 p -129.97 173.87 10.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.3 163.43 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 41' ' ' PHE . 7.2 mt -112.57 143.62 43.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 31' ' ' ILE . 2.8 pp -136.27 147.33 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.69 143.61 23.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.7 133.83 13.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -3.43 12.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 36' ' ' VAL . 70.8 mt -114.17 17.32 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 35' ' ' LEU . 18.5 m 43.94 35.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 1.6 p -65.53 -20.68 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.03 46.55 3.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.54 120.66 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 30' ' ' LEU . 91.5 t -94.0 116.66 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CZ ' ' CD2' ' A' ' 49' ' ' HIS . 2.3 p90 -134.41 158.2 44.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' N ' HD23 ' A' ' 30' ' ' LEU . 76.8 m-70 -63.12 128.87 37.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 42' ' ' HIS . 24.6 p -33.31 -44.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 45' ' ' LYS . 13.4 p -65.47 -47.7 75.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.3 mmmp? -60.72 -28.59 68.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . . . -45.53 -56.22 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.076 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 32.6 m-20 -44.93 -29.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' HA ' HD23 ' A' ' 51' ' ' LEU . 6.0 mp0 -93.88 -34.9 12.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.696 ' CD2' ' CZ ' ' A' ' 41' ' ' PHE . 5.0 t60 -69.38 -17.24 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CG ' HD22 ' A' ' 51' ' ' LEU . 6.4 ptm180 -77.96 -8.32 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.2 mm? -85.68 -30.64 23.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' CYS . 1.9 mp -102.22 -35.58 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' LEU . 53.9 t -33.63 131.7 0.38 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.658 0.742 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 5.9 m-85 -48.39 -39.87 23.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' OE2' ' N ' ' A' ' 57' ' ' ARG . 1.9 tm-20 -38.79 138.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.462 ' N ' ' OE2' ' A' ' 56' ' ' GLU . 20.7 ttm105 -68.3 112.0 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.594 HG21 ' CG ' ' A' ' 73' ' ' ARG . 12.4 m -121.31 146.88 45.8 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 145.88 58.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.6 t -39.41 136.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.868 HD12 HD11 ' A' ' 80' ' ' LEU . 36.9 mt -49.04 -34.12 12.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -94.47 33.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 p -46.12 -45.84 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.03 -50.56 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -53.31 -42.03 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.36 41.48 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 1.8 t -87.54 109.8 29.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' CYS . 54.1 Cg_endo -69.71 -9.19 25.51 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -67.36 130.86 44.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -132.0 133.46 44.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.542 ' HG2' HG22 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -162.82 173.2 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -61.91 146.52 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.594 ' CG ' HG21 ' A' ' 58' ' ' VAL . 55.4 mtt-85 -56.25 -43.7 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -76.89 7.85 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -121.53 -25.11 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 71' ' ' MET . 67.7 t -53.29 -45.09 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -35.94 -46.54 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.91 -49.38 68.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -56.47 -36.94 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.868 HD11 HD12 ' A' ' 61' ' ' LEU . 40.7 mt -56.31 -34.45 66.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.08 -36.94 85.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.7 20.53 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.2 t -94.08 134.87 25.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.6 0.89 Allowed 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.51 -26.2 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t -82.94 37.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 88' ' ' SER . 29.7 m -41.78 -40.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 87' ' ' VAL . 9.8 t -62.8 120.55 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.52 -169.35 32.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 168.81 20.52 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.2 m -52.93 91.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 93' ' ' GLY . 39.2 t -52.05 -45.84 64.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.806 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 92' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_