data_2epa_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 2epa _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HB2' ' C ' ' A' ' 28' ' ' THR . 23.2 ptt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.86 -67.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.3 m-70 -52.02 108.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 mp -91.21 143.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -69.55 122.53 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.0 m -60.69 -44.05 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -53.18 129.66 50.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.94 55.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . . . 76.23 -51.44 2.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.43 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.2 t -37.99 -60.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.52 50.78 63.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.23 121.86 32.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 29' ' ' TYR . 10.9 m -118.67 154.24 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.465 ' N ' HG21 ' A' ' 28' ' ' THR . 97.5 m-85 -136.8 153.19 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -78.8 -53.53 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 27.5 mmtt -60.94 101.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 68.0 p -40.51 -27.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' HIS . 1.4 t -77.64 -48.61 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' SER . 8.5 m170 -33.2 -57.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -38.54 -58.39 1.04 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -48.32 -43.67 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.95 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' O ' ' CG2' ' A' ' 41' ' ' THR . 55.2 t60 -67.21 -57.71 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -38.98 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.7 mtp180 -51.15 -46.63 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 38' ' ' HIS . 6.3 t -59.02 -29.47 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 53.2 Cg_endo -69.76 -38.0 8.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 47' ' ' PRO . 33.4 m-85 -92.08 145.21 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 59.2 p -152.59 124.52 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 t -49.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 59.36 47.62 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' LYS . 43.4 t-105 -89.99 173.58 8.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 52' ' ' TRP . 29.7 tttm -34.11 -69.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -133.86 45.85 1.09 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.2 t -97.96 -64.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 62.94 40.87 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -118.36 115.91 25.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 56.4 mtp180 -100.51 173.07 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.7 m-85 -152.98 155.77 37.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.96 -42.2 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -91.61 147.5 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 m -65.7 -64.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.35 -43.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.24 -46.92 65.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.26 -60.34 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -49.66 -43.65 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -66.8 -24.25 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -89.52 -28.98 19.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tpp85 -84.03 14.59 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -92.76 -38.65 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -74.39 -28.63 61.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.808 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HB2' ' C ' ' A' ' 28' ' ' THR . 13.5 ptp180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -98.01 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.2 m170 -52.02 109.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.793 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 126.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -52.22 106.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -42.28 -41.58 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -54.06 122.77 37.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 160.1 50.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 -45.8 2.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.13 -45.79 16.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 56.13 50.64 60.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -122.52 147.22 46.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 29' ' ' TYR . 11.9 m -150.79 152.98 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' N ' HG23 ' A' ' 28' ' ' THR . 92.1 m-85 -140.45 149.58 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -75.84 -38.41 58.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 15.8 ttmt -75.19 105.86 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.1 p -37.04 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.0 m -83.64 -45.46 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.7 m170 -35.05 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' SER . 28.9 tp -66.56 -59.26 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -53.04 -34.52 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.33 -24.54 60.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.21 -34.04 16.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -48.06 -33.88 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 41' ' ' THR . 20.8 ptt180 -61.96 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 63.5 p -36.91 -39.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG3' ' CA ' ' A' ' 60' ' ' ALA . 3.1 mptt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 54.1 Cg_endo -69.79 -15.51 37.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 47' ' ' PRO . 75.4 m-85 -110.32 131.7 54.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.8 p -137.74 165.54 26.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.38 158.11 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -96.34 -37.46 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -56.69 132.74 52.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.43 -48.17 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.18 42.92 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -157.83 109.95 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.2 15.61 20.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -73.59 118.65 16.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -113.43 175.85 5.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -155.59 149.33 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' CA ' ' HG3' ' A' ' 46' ' ' LYS . . . -81.79 -41.65 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.07 150.39 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.0 p -63.11 -56.91 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -40.82 -55.61 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -38.86 -58.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.84 -49.62 74.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 p -49.75 -55.15 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -61.22 -36.52 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.472 ' O ' ' CG2' ' A' ' 71' ' ' THR . 67.3 t60 -63.5 -60.39 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' HIS . 39.8 mmm-85 -36.43 -39.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -44.89 -48.02 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' HIS . 9.8 t -51.05 -31.81 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 12.0 ptt180 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.813 0.34 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.421 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.4 m -97.84 -66.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.4 m170 -53.02 104.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 28' ' ' THR . 5.1 mm -85.23 132.65 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -61.95 131.29 49.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -56.47 -49.68 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -59.01 120.24 45.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.702 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 -50.94 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.73 -35.2 16.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 1.8 t -70.41 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.92 55.09 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 18.7 mmmt -118.24 159.81 22.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' HD13 ' A' ' 19' ' ' ILE . 7.4 m -158.02 141.85 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -133.81 154.09 51.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 13.7 p90 -73.15 -57.38 4.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 16.2 mmtm -55.83 106.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 67.6 m -41.47 -32.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 34' ' ' HIS . 78.1 p -76.17 -48.92 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.2 m170 -32.89 -60.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 14.4 tp -41.64 -63.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -44.68 -39.89 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.4 -36.01 68.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 39' ' ' THR . 5.1 t60 -67.36 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 38' ' ' HIS . 26.9 m -32.22 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.9 mtp180 -44.64 -51.08 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 t -41.69 -34.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.529 0.681 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.78 -38.6 7.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -64.63 152.96 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -157.7 142.11 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.2 t -110.09 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -104.93 102.0 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 43.1 t-105 -117.95 17.71 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 65.66 41.16 4.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.99 -32.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' CG ' ' A' ' 57' ' ' ARG . 2.0 t -73.05 -66.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 55.05 45.8 25.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' CG ' ' SG ' ' A' ' 55' ' ' CYS . 16.2 mmm180 -109.35 111.4 22.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 4.6 ptp180 -95.82 165.8 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 54.8 m-85 -156.44 109.33 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.19 -42.05 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -80.27 105.65 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.7 p -38.35 -48.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.42 -52.26 54.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -47.92 -50.66 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -60.49 -44.73 95.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -81.35 12.68 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -117.25 -32.21 5.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -81.88 15.51 2.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.7 p -106.98 -35.81 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HB3' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.816 0.341 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.3 m -97.55 -70.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.4 m-70 -52.67 111.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.77 132.52 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.31 116.28 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -40.96 -48.45 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.96 119.92 45.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.72 -33.58 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 3.7 t -69.51 -52.14 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.71 56.52 20.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 17.2 mmmt -122.44 156.12 34.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.432 ' C ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 m -150.67 147.18 27.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' SER . 96.7 m-85 -134.48 161.05 36.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -90.25 -49.13 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.73 104.35 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.482 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 13.5 t -35.44 -31.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' LYS . 1.7 t -75.97 -46.6 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 8.1 m170 -32.26 -60.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.9 tp -38.58 -48.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' SER . 17.7 mmtp -53.58 -45.33 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.35 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' ARG . 37.2 t60 -65.29 -65.61 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 92.1 m -34.02 -32.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' HIS . 38.1 mtt180 -47.48 -50.09 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 42' ' ' HIS . 11.6 t -50.78 -29.27 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 41' ' ' THR . 56.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -66.51 127.61 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.6 p -135.07 134.93 40.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 38.2 t -66.08 161.89 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 23.1 m -125.35 102.24 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 46.5 t-105 -162.72 177.14 9.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -94.01 117.49 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.34 78.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 15.5 t -97.99 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 58.05 44.14 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -125.08 109.03 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -110.15 172.89 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -153.96 153.16 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.17 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -82.6 177.04 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 p -96.27 -53.48 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.41 -49.35 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.41 -49.72 17.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 20.8 tp -61.28 -58.88 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -50.95 -35.75 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' C ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 ttt180 -72.44 -22.06 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 69' ' ' ARG . 5.4 t60 -92.01 -63.64 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 13.7 tpt85 -41.95 -31.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 71' ' ' THR . 11.6 ptp180 -69.45 -39.08 78.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.2 p -57.3 -50.75 71.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' C ' ' A' ' 28' ' ' THR . 42.6 mtt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -97.74 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -54.07 107.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -92.19 140.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.2 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 t -43.04 -53.81 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -53.24 123.67 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.288 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.0 -30.84 9.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -78.03 -66.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.08 52.29 24.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -120.46 125.81 48.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.425 HG21 ' C ' ' A' ' 18' ' ' HIS . 5.1 m -115.95 156.85 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -145.22 147.39 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -75.31 -52.71 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 9.4 tptm -61.35 104.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.492 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 26.3 t -38.41 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.4 m -82.63 -46.0 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.525 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 6.0 m170 -35.67 -34.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.3 tp -61.78 -54.84 36.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 1.2 ptmm? -57.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.456 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -73.0 -12.11 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' CG2' ' A' ' 41' ' ' THR . 46.6 t60 -102.58 -29.06 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -84.65 -39.13 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -49.41 -23.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 42' ' ' HIS . 9.7 t -88.76 -29.14 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' HG21 ' A' ' 41' ' ' THR . 3.1 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 1.2 mptp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 5.0 m-85 -82.46 128.62 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 p -141.69 133.41 27.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 156.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.7 p -89.86 -42.68 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -52.9 119.75 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' CYS . 26.2 ttmt -57.56 -67.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . -36.91 -31.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.527 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.6 t -71.47 -59.61 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.31 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 55.42 32.07 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -109.5 139.06 44.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.579 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 13.9 ptt-85 -132.71 170.93 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 2.5 m-85 -144.35 155.02 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.17 -35.21 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -94.44 151.37 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.5 p -70.79 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' SER . 3.3 m-20 -37.93 -66.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.23 -51.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 66' ' ' SER . 2.3 tm? -67.9 -68.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.506 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 2.1 m -39.11 -34.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -77.41 -39.13 48.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.7 t60 -61.47 -52.0 66.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.1 mmm180 -38.16 -35.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' HIS . 32.6 mtm180 -49.18 -46.28 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 72' ' ' HIS . 13.9 t -41.61 -23.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.457 ' N ' HG22 ' A' ' 71' ' ' THR . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 28' ' ' THR . 17.8 ptt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -52.01 104.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.9 152.51 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -75.47 131.75 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -66.39 -50.66 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.11 130.38 59.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 161.59 45.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 -48.59 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.4 t -41.57 -47.89 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 48.66 50.48 25.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -123.11 120.66 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 16' ' ' ARG . 1.8 m -115.77 151.92 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.68 152.17 47.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -80.12 -49.02 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -59.25 101.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 9.3 p -41.6 -34.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' HIS . 26.8 t -75.77 -48.6 21.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.9 m170 -32.06 -58.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -37.79 -60.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -45.88 -44.18 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.73 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' THR . 27.7 t60 -55.87 -52.38 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -37.29 -39.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' HIS . 65.5 mtm180 -52.58 -46.19 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' HIS . 12.4 t -42.88 -23.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ARG . 74.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 97.8 m-85 -126.11 117.59 23.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 p -131.88 130.65 41.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.4 139.04 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -111.52 12.71 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 18.5 t-105 -70.96 136.21 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -61.01 132.9 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.19 -56.72 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.4 t -38.79 -68.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 64.7 37.05 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.52 172.56 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -164.25 166.75 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -154.17 145.76 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.03 88.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -87.8 166.0 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 7.6 t -84.61 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 7.4 p-10 -33.63 -45.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.81 -54.43 46.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -67.52 -56.67 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.474 ' N ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -44.6 -48.2 10.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.0 -34.73 78.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.572 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -79.06 -19.59 50.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 tpt85 -88.22 -34.57 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -73.4 -32.92 64.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 72' ' ' HIS . 7.7 t -63.98 -22.59 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.054 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' N ' HG22 ' A' ' 71' ' ' THR . 14.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 14.6 ptp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HD11 ' A' ' 19' ' ' ILE . 79.4 p -97.92 -71.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 43.1 m-70 -52.28 105.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 17' ' ' SER . 2.9 mm -88.14 114.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.08 110.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 -46.64 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.07 113.69 4.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.02 -31.15 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -49.82 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.13 70.23 0.95 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -133.34 138.02 46.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 15.4 m -140.27 141.58 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 38' ' ' HIS . 90.1 m-85 -122.13 143.86 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -66.43 -53.04 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 52.6 mmtt -60.01 102.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.645 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 24.7 p -38.85 -25.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' LYS . 87.6 p -84.41 -49.08 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 3.4 m170 -32.85 -59.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD22 ' ND1' ' A' ' 18' ' ' HIS . 10.0 tp -33.48 -58.18 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -42.97 -43.95 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.2 -36.76 83.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 28.4 t60 -70.51 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -40.8 -31.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -61.15 -43.7 98.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -47.78 -33.36 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 58.1 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.75 -12.91 33.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.624 2.216 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -106.86 167.79 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -162.59 165.38 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 16.2 t -66.39 165.49 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -89.66 -46.83 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -55.71 124.66 18.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -56.73 -62.05 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.2 -43.36 5.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.9 119.94 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.04 10.72 40.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -74.55 116.48 15.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -108.12 169.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CZ ' ' CG ' ' A' ' 68' ' ' HIS . 34.8 m-85 -148.79 162.88 38.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.77 -46.75 5.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -92.23 131.36 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 t -48.35 -50.27 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.98 -58.46 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -46.51 -46.93 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 10.4 tp -63.97 -49.69 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -54.52 -41.9 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -66.86 -57.02 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ARG . 17.5 t60 -44.75 -53.1 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . 8.7 mtm105 -34.48 -40.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -43.96 -52.33 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -40.74 -33.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 36.4 mtm180 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.5 m -97.94 -68.59 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 32' ' ' SER . 11.5 m-70 -52.43 103.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' CG2' ' A' ' 28' ' ' THR . 4.3 mm -84.77 139.77 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.01 123.35 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.81 116.49 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 -46.89 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.597 2.198 . . . . 0.0 112.323 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.55 62.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.524 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.5 t -66.97 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.51 61.22 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 2.0 tppt? -129.97 124.04 32.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 29' ' ' TYR . 11.6 m -130.4 151.94 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.18 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 27' ' ' LYS . 75.8 m-85 -147.49 127.79 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.5 t80 -46.39 -50.35 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 11.2 mmmt -59.67 102.39 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 66.3 m -42.19 -48.75 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' HIS . 45.2 p -61.04 -55.14 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' SER . 7.1 m170 -35.04 -63.52 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.668 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -39.66 -67.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 8.0 mtmp? -37.86 -44.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.62 68.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.7 t60 -48.95 -52.15 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 97.7 m -34.44 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' HIS . 59.9 mtt180 -48.49 -50.07 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 42' ' ' HIS . 14.2 t -47.49 -22.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.431 ' N ' HG21 ' A' ' 41' ' ' THR . 91.3 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.658 0.742 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -2.66 10.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 74.0 m-85 -139.04 117.51 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -123.45 126.31 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -44.05 -51.6 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 m 61.47 46.02 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 15.4 t-105 -84.72 178.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -63.15 -29.29 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.05 32.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 49.8 t -94.64 -58.94 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 58.08 41.16 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -116.63 114.95 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -111.61 158.04 19.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.483 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 22.2 m-85 -130.79 147.33 52.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.39 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -99.8 134.01 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.523 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 67.8 p -48.56 -57.5 6.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -38.14 -53.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 18.7 mm-40 -45.05 -49.6 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.32 -55.86 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -44.59 -42.11 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -73.05 -52.52 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 70' ' ' ARG . 16.2 t60 -47.62 -39.37 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -39.53 -27.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' HIS . 22.2 ptt180 -53.58 -46.35 70.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.416 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 9.8 t -45.51 -22.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' C ' HG22 ' A' ' 28' ' ' THR . 8.6 ptm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.2 m -82.29 -68.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 4.7 m-70 -58.64 102.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 28' ' ' THR . 3.6 mm -88.1 128.61 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -54.19 -24.39 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 t 56.41 32.11 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLY . 9.2 t60 -123.55 137.64 28.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.6 Cg_endo -69.75 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -28.39 71.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -97.9 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 59.85 31.43 71.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.506 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.68 177.77 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.478 HG23 ' CD1' ' A' ' 19' ' ' ILE . 5.9 m -156.52 149.65 24.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -138.65 155.31 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -87.54 -51.11 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 11.3 mtmt -59.36 102.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.521 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 t -40.11 -36.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' HIS . 70.0 m -69.28 -53.14 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' SER . 3.1 m170 -32.04 -64.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.3 tp -32.27 -54.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -52.65 -50.5 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.37 -29.39 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -83.66 -21.95 32.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' LEU . 90.2 m -88.52 -38.13 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 41' ' ' THR . 6.1 ptp180 -64.32 -31.64 72.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 42' ' ' HIS . 13.0 t -72.1 -37.97 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' N ' HG21 ' A' ' 41' ' ' THR . 2.3 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -38.08 8.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.276 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 92.9 m-85 -93.94 144.36 25.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.418 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 34.5 p -152.3 125.81 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.97 140.76 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.2 p -105.48 16.9 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 47.8 t-105 -77.21 127.29 32.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.88 129.99 31.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.61 -47.82 3.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 37.6 t -42.16 -62.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 55' ' ' CYS . 4.0 pt-20 50.99 33.19 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -99.73 120.68 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 70.3 mtt180 -108.86 150.53 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' A' ' 65' ' ' LEU . 3.3 m-85 -137.26 154.11 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.15 -46.72 9.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -68.43 149.09 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 12.7 t -84.88 -41.48 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.93 -47.39 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -49.44 -49.01 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 59' ' ' PHE . 60.7 tp -62.72 -48.89 77.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -40.42 -50.8 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -70.9 -48.15 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -45.39 -29.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 70' ' ' ARG . 28.1 mmm-85 -96.0 -43.45 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' ARG . 6.0 mtm180 -33.34 -60.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.1 t -85.68 -29.28 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 1.7 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 14.1 ptp180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.97 -67.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 10.4 m-70 -51.92 108.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -57.82 108.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -45.32 -44.6 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -52.87 116.73 9.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.93 58.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.381 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -43.31 2.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.37 -59.23 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 52.48 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.551 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' C ' ' HB2' ' A' ' 16' ' ' ARG . 7.2 m -158.65 149.91 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.416 ' N ' HG21 ' A' ' 28' ' ' THR . 80.1 m-85 -141.18 143.71 34.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.6 t80 -63.78 -59.78 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 14.9 mtpp -55.59 102.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.563 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 12.3 p -38.65 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' HIS . 68.6 m -77.92 -47.75 17.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.51 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.3 m170 -32.8 -51.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' HIS . 43.4 tp -37.31 -56.44 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -50.28 -51.49 44.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.29 -19.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -93.23 -46.59 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 m -46.18 -27.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -48.68 -32.28 8.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 t -80.66 17.02 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 6.0 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.283 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -71.49 120.34 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.5 p -128.18 145.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.39 142.24 57.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -95.2 17.06 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 57.1 t-105 -93.53 120.07 33.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.87 123.65 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.15 -45.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.1 t -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 54.49 41.48 31.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -117.76 128.77 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 87.9 mtm-85 -120.51 176.96 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ARG . 68.4 m-85 -157.82 146.63 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.31 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -94.27 142.81 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 t -64.31 -50.27 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -42.67 -44.56 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.5 -48.88 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.74 -61.1 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.5 t -52.42 -53.31 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -58.94 -15.09 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 2.0 t60 -98.16 -28.97 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' HIS . 21.3 mmm-85 -82.15 -35.66 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -41.36 -42.16 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.451 ' N ' ' HD3' ' A' ' 70' ' ' ARG . 8.8 t -69.5 -35.0 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.635 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HB2' ' C ' ' A' ' 28' ' ' THR . 14.2 ptp180 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.89 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.4 m170 -52.02 105.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 20' ' ' CYS . 1.4 mp -88.16 105.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.0 t -33.04 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' ILE . 50.5 m 52.79 34.89 17.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 49.5 t60 -105.56 140.02 20.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.79 111.6 2.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.57 2.18 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.92 -38.2 3.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.46 54.8 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -114.35 157.63 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 29' ' ' TYR . 17.3 m -144.53 151.94 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' N ' HG23 ' A' ' 28' ' ' THR . 96.3 m-85 -145.16 151.38 38.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 16.9 t80 -71.91 -58.55 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 20.1 mmmt -57.06 102.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 77.8 p -42.53 -33.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' HIS . 66.4 m -70.54 -51.71 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.9 m170 -32.38 -59.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 34' ' ' HIS . 22.9 tp -33.07 -60.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -46.91 -48.1 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -64.47 -42.95 95.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 40' ' ' ARG . 16.2 t60 -59.9 -52.39 65.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' HIS . 90.6 m -32.36 -35.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' HIS . 58.3 mtp180 -45.15 -51.06 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 42' ' ' HIS . 10.1 t -37.55 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' ARG . 18.9 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 9.6 mptt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.88 27.2 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -131.63 119.18 21.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -124.61 170.36 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.7 t -75.63 149.77 38.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -91.74 -21.96 20.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.754 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 24.9 t-105 -56.24 149.49 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.77 111.25 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.15 34.04 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.6 t -109.4 -28.78 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 39.34 35.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -116.38 110.89 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -108.96 167.09 10.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -148.49 106.93 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 46' ' ' LYS . . . -44.35 -44.64 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -83.72 122.77 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -49.02 -43.34 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -59.51 -52.65 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -44.36 -42.96 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -52.87 -48.35 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.57 -42.49 92.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ARG . 19.8 t60 -64.97 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' HIS . 15.7 mmm-85 -32.81 -37.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' HIS . 42.4 mtt180 -36.9 -48.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 t -53.14 -41.47 65.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.754 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 16.2 ptp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.98 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.0 m170 -54.73 112.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.63 109.73 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -45.88 -34.65 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m 52.22 35.65 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 9.2 t60 -96.49 139.95 21.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.81 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -46.17 1.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -63.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.06 69.19 1.35 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -121.36 134.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 9.2 m -131.7 143.7 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 34' ' ' HIS . 88.1 m-85 -130.1 156.73 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 6.6 p90 -105.67 -3.55 22.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' SER . 33.7 mmtt -100.06 7.32 44.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 95.9 p 34.4 31.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LYS . 68.4 m -117.98 -38.1 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 29' ' ' TYR . 2.3 m-70 -60.62 -59.64 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' HIS . 35.1 tp -32.33 -43.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.8 -53.54 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -85.08 9.49 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' HIS . 15.0 t60 -116.99 -21.58 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.1 m -83.64 -33.04 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -48.81 -48.93 41.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.511 HG21 ' N ' ' A' ' 42' ' ' HIS . 9.4 t -61.95 -39.55 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.511 ' N ' HG21 ' A' ' 41' ' ' THR . 2.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -26.73 27.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.401 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 27.4 m-85 -95.7 18.0 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.2 p -52.03 122.6 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.89 163.27 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -149.8 108.54 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 25.9 t-105 -144.7 172.91 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.07 -42.35 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.6 51.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 44.8 t -121.53 123.12 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -112.2 13.23 20.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.42 131.59 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -138.12 133.29 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.68 156.46 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 -40.56 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.72 169.23 17.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 84.0 p -89.0 -47.56 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.21 -53.19 22.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -47.41 -59.32 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -53.94 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -43.71 -41.27 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.1 -41.72 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 9.1 t60 -67.82 -45.56 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ARG . 11.5 mmm180 -36.43 -43.41 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.2 ptm180 -33.88 -44.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 p -47.76 -51.24 23.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.872 0.367 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 28' ' ' THR . 67.6 m -147.17 173.13 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 37.9 m-70 66.47 48.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -55.87 112.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.7 t -33.49 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.4 t 53.98 32.11 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 7.4 t60 -101.09 141.18 22.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.8 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.75 -48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -63.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.35 99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.31 160.56 37.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 17' ' ' SER . 1.7 m -134.39 163.03 30.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 17' ' ' SER . 84.4 m-85 -157.9 102.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' N ' ' H ' ' A' ' 17' ' ' SER . 3.6 p90 -37.33 -46.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 1.6 tppt? -69.39 128.03 35.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 33.5 p -62.18 -42.13 98.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -64.72 -46.02 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 m170 -37.68 -53.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.04 -51.16 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.91 -39.2 62.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.24 53.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 6.1 t60 -64.56 -62.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 52.6 m -35.84 -41.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -52.36 -46.62 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.4 p -38.02 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -50.42 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 86.6 m-85 -78.03 120.65 23.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.487 ' HA ' ' CB ' ' A' ' 58' ' ' ARG . 75.9 p -133.88 136.32 44.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -50.45 -66.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 t 58.79 47.86 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LYS . 55.1 t-105 -83.97 173.89 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' TRP . 20.4 tptm -33.94 -47.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.64 39.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.03 135.52 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -115.83 13.16 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -75.3 149.31 38.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 11.7 ptp85 -150.2 176.86 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 8.1 m-85 -154.79 158.93 40.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . . . -74.15 -51.27 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -88.75 139.09 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.1 t -61.0 -46.35 91.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.66 -51.56 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.43 -52.61 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.85 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t -38.16 -47.78 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -59.13 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 5.5 t60 -40.4 -53.35 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -37.25 -45.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' ARG . 60.7 mtt180 -35.22 -50.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.1 p -40.23 -52.39 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 16.1 ptt-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.84 -70.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' CG ' ' HA ' ' A' ' 32' ' ' SER . 17.0 m-70 -53.71 109.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.4 153.1 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' SER . 44.6 t -65.72 102.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 33.7 t -36.78 -38.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -58.83 128.92 84.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 148.31 65.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.736 2.29 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.97 -40.82 3.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.01 -69.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.37 -22.53 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -52.05 106.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 HG22 ' C ' ' A' ' 18' ' ' HIS . 7.4 m -102.27 155.41 18.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.57 133.47 34.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 p90 -60.19 -42.04 94.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.6 106.29 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.571 ' HA ' ' CG ' ' A' ' 18' ' ' HIS . 8.0 t -42.11 -57.95 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -53.89 -58.42 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' SER . 11.2 m170 -32.56 -65.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.655 ' C ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -37.42 -62.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.608 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 5.1 mtpm? -48.0 -47.09 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.22 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' THR . 23.6 t60 -88.96 -43.3 11.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -43.33 -33.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.87 -36.0 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' HIS . 44.4 p -39.19 -36.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mttp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -28.23 25.87 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.67 157.15 16.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.9 p -160.85 155.1 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.88 123.44 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -87.77 6.8 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -61.29 158.09 15.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 125.29 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.15 -37.95 3.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.416 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 t -40.43 -68.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.13 41.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -134.53 110.75 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -100.67 178.5 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.37 169.89 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.64 -50.02 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -82.51 155.81 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.33 -40.98 22.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.84 -56.56 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -48.99 -42.0 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.61 -41.38 79.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -55.62 -39.8 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -83.8 -26.58 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 2.0 t60 -84.57 -10.36 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -94.11 -48.39 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -63.92 -27.28 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -66.89 -36.1 81.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 13.3 ptt85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -98.03 -65.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -51.88 105.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 mp -86.17 137.69 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.7 t -65.47 110.91 2.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 40.7 t -34.47 -50.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.69 119.8 50.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.06 -36.02 34.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.88 -58.36 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.15 51.67 26.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.27 138.78 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 14.7 m -138.36 150.06 46.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' N ' HG22 ' A' ' 28' ' ' THR . 80.3 m-85 -140.58 142.31 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.84 -57.45 9.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 24.0 mmtm -52.89 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 58.7 m -41.43 -29.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 34' ' ' HIS . 9.9 t -77.33 -48.93 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 5.0 m170 -32.65 -57.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 tp -40.32 -54.78 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -48.65 -42.06 33.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.79 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -72.26 -23.82 61.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -86.04 -29.62 23.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -45.68 -50.12 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 42' ' ' HIS . 9.3 t -62.36 -46.22 89.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.429 ' N ' HG21 ' A' ' 41' ' ' THR . 23.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' A' ' 58' ' ' ARG . 8.9 pttt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.562 0.696 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.76 -27.82 25.98 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.387 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 62' ' ' SER . 69.4 m-85 -82.43 18.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 p -57.91 127.44 32.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -52.22 150.79 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 t -111.07 17.12 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 1.1 t-105 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -98.0 -69.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.55 41.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 52' ' ' TRP . 1.4 t -55.26 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 58.42 46.09 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 14.8 mmt180 -117.98 111.08 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -93.31 161.42 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.464 ' C ' ' HB2' ' A' ' 46' ' ' LYS . 4.7 m-85 -152.68 127.69 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . . . -73.63 -28.2 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.57 ' HA ' ' CD2' ' A' ' 48' ' ' PHE . 36.3 p -83.5 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -39.81 -48.35 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -43.28 -55.16 4.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' ARG . 34.8 tp -61.6 -47.64 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -50.19 -53.52 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -75.62 -27.75 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CD2' ' CE2' ' A' ' 59' ' ' PHE . 42.1 t60 -76.68 -20.15 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 15.4 mmt180 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 1.9 ptm85 -48.31 -20.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.4 ' HG1' ' N ' ' A' ' 72' ' ' HIS . 73.1 p -81.85 -36.39 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.4 ' N ' ' HG1' ' A' ' 71' ' ' THR . 4.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 56.2 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -97.88 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 -179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m-70 -53.4 103.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 17' ' ' SER . 13.4 mm -86.77 135.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.5 t -57.96 135.67 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -74.71 -44.9 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -54.66 127.2 59.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 156.86 62.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.33 -43.14 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.88 -43.69 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.29 56.12 8.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -121.68 158.39 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 16' ' ' ARG . 5.6 m -154.11 151.07 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' N ' HG23 ' A' ' 28' ' ' THR . 68.8 m-85 -141.41 120.67 13.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.75 -50.62 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 1.5 mptp? -57.47 124.83 20.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.585 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 8.5 t -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' HIS . 18.5 t -69.99 -45.65 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 2.3 m170 -32.69 -61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.3 tp -39.43 -60.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -44.7 -42.28 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.2 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' THR . 49.0 t60 -66.01 -58.88 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -41.28 -34.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -62.25 -40.69 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 38' ' ' HIS . 53.5 p -53.65 -40.83 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.605 0.717 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.5 Cg_endo -69.84 2.93 3.12 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 152.78 48.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 53.2 p -159.15 158.43 32.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.25 115.4 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -85.5 111.01 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -168.72 177.94 4.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -99.16 115.35 28.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.29 -42.41 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.523 ' C ' ' HG3' ' A' ' 56' ' ' GLU . 6.4 t -59.09 -61.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HG3' ' C ' ' A' ' 55' ' ' CYS . 2.1 pp20? 36.68 40.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 13.0 mmt180 -105.8 121.12 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 20.8 mtp180 -106.66 169.15 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -150.46 164.74 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.39 -48.22 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -96.11 136.87 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t -56.48 -50.18 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -38.27 -52.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -53.45 -55.12 27.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.85 -56.37 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -39.73 -52.44 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' CD ' ' HD3' ' A' ' 70' ' ' ARG . 5.7 tmm_? -65.33 -59.87 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.0 t60 -41.28 -50.2 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' HIS . 22.4 mmt180 -36.28 -43.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' ARG . 8.5 ptm180 -35.27 -47.49 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.5 p -39.77 -47.08 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 13.2 ptt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -97.94 -68.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.587 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 12.4 m-70 -51.96 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 17' ' ' SER . 3.1 mm -86.58 148.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.4 t -69.49 114.13 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' CYS . 15.7 t -35.56 -58.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.31 118.64 32.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.536 0.684 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.41 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.374 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.04 9.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.73 -67.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.59 78.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -150.99 158.74 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 6.6 m -155.58 151.97 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' N ' HG21 ' A' ' 28' ' ' THR . 59.1 m-85 -144.29 125.86 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.473 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 5.2 p90 -45.22 -47.66 12.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 18.0 mmtp -62.64 113.83 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.587 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 30.3 p -50.2 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' HIS . 63.8 p -47.42 -55.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 m170 -33.73 -68.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.654 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -34.91 -68.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 3.4 mtpm? -37.43 -40.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -68.56 -45.45 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 2.1 t60 -58.2 -15.24 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -88.25 -36.05 16.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -73.2 -13.04 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -88.21 -14.86 37.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 58' ' ' ARG . 45.6 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.583 0.706 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.62 7.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.7 m-85 -87.54 129.02 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 p -145.91 116.86 7.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.6 t -52.11 151.56 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -119.72 107.39 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -162.28 173.67 13.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -96.04 109.86 22.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.62 -48.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.6 t -50.13 -68.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.31 45.62 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -109.55 149.68 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.643 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -144.71 174.06 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 3.4 m-85 -151.29 177.99 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.85 -39.02 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -94.75 145.61 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -71.91 -20.84 61.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.36 -45.32 19.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -64.78 -39.01 92.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 65' ' ' LEU . 3.3 t -43.14 -48.59 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -56.07 -36.5 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.584 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -73.7 -19.0 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -80.38 -49.65 11.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -58.6 -31.27 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' HIS . 34.1 p -61.88 -47.76 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' THR . 15.6 m-70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' CB ' HG23 ' A' ' 28' ' ' THR . 10.0 ptm180 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -97.93 -75.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -73.63 101.97 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.41 112.75 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.15 -34.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 55.35 33.87 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.542 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 22.1 t60 -107.68 141.27 22.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.2 Cg_endo -69.7 116.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.82 -46.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -60.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.42 60.11 7.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -124.43 161.62 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 29' ' ' TYR . 63.4 m -148.93 159.01 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.65 ' N ' HG22 ' A' ' 28' ' ' THR . 95.1 m-85 -151.05 105.42 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -32.13 -56.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HD2' ' CD2' ' A' ' 34' ' ' HIS . 3.1 ttmm -60.27 151.73 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.573 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 78.1 p -80.14 -42.93 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.8 p -65.91 -40.19 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HD2' ' A' ' 31' ' ' LYS . 6.3 m170 -40.01 -68.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -39.62 -47.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -54.48 -40.1 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -70.74 -39.75 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' ARG . 7.4 t60 -66.25 -46.36 77.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.6 m -34.66 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' HIS . 76.1 mtp180 -47.41 -52.12 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 42' ' ' HIS . 15.0 t -44.27 -24.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 41' ' ' THR . 31.8 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.605 0.717 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.8 Cg_endo -69.75 -24.78 29.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.6 m-85 -94.67 151.4 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.0 p -157.35 134.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.37 158.92 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -140.68 108.54 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.8 t-105 -146.04 172.24 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -41.89 -63.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.51 39.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.6 t -74.03 -68.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.727 0.299 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 57.15 45.1 21.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -133.5 110.11 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 3.9 ptp180 -103.67 170.79 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -148.61 162.54 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.25 -44.99 9.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -84.0 155.2 22.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 47.8 p -80.12 -42.53 23.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -52.84 -57.88 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -43.88 -49.21 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.46 -45.33 80.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.5 m -50.15 -35.4 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -89.72 -37.64 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -72.25 -16.01 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.7 -46.44 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.43 -23.29 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -75.11 -35.25 61.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.96 -69.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 11.6 m-70 -52.32 106.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.1 154.51 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 t -70.62 130.62 42.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -66.19 -41.15 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -55.09 119.23 21.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.672 0.748 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 156.79 62.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.7 -43.21 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.94 -66.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.55 73.31 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -136.69 159.04 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 3.5 m -160.95 152.01 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -150.55 127.84 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 31' ' ' LYS . 1.6 p90 -50.25 -34.06 21.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.5 mmtp -68.54 102.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.557 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 16.9 p -44.18 -45.86 8.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' HIS . 31.1 p -67.6 -54.4 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' LEU . 8.2 m170 -35.12 -65.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.653 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -33.15 -68.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.599 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 54.8 mttm -36.29 -46.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' THR . . . -61.73 -57.18 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.053 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 19.4 t60 -44.67 -21.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 30.4 m -91.21 -41.73 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.23 -10.09 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -95.31 -26.78 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 mttm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.55 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 62' ' ' SER . 69.2 m-85 -65.96 132.75 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -136.03 156.05 49.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.7 159.29 33.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -39.7 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.428 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -52.38 134.13 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 55' ' ' CYS . . . -51.1 -48.51 46.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t -35.16 -67.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 58.25 44.03 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -123.73 111.14 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.588 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 65.8 mtt85 -98.81 177.52 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.2 m-85 -156.19 142.54 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.06 -42.66 75.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 153.02 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 m -77.98 -40.08 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.64 -48.53 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -48.12 -48.19 34.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.11 -62.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 t -43.15 -50.3 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -61.51 -37.76 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.57 -57.16 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' THR . 17.6 mtm180 -41.78 -45.03 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' ARG . 85.0 mtt-85 -33.68 -35.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ARG . 72.6 p -56.89 -51.98 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.7 p-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.798 0.332 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -98.0 -69.26 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 9.9 m170 -52.33 110.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -93.32 144.31 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 2.2 t -62.51 133.68 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 t -72.81 -43.82 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -56.76 126.74 72.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.713 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.55 69.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 -40.22 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.36 -58.94 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.86 53.32 27.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 3.7 tppt? -125.26 124.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 34.3 m -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' N ' HG21 ' A' ' 28' ' ' THR . 64.6 m-85 -129.73 148.74 51.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -74.09 -51.18 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' SER . 26.9 mmtm -62.07 102.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 69.7 p -37.82 -32.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -73.53 -50.04 23.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.7 m170 -32.22 -57.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.9 tp -40.64 -46.75 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' SER . 37.5 ttpt -54.55 -40.71 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.49 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 25.5 t60 -66.42 -46.73 75.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -43.8 -34.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -45.54 -50.73 12.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 42' ' ' HIS . 8.9 t -39.89 -29.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 41' ' ' THR . 27.1 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.572 0.701 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 69.3 m-85 -76.41 148.39 37.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.45 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 49.4 p -153.31 147.11 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -112.88 107.91 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -98.16 102.01 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 52.3 t-105 -117.95 17.81 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' TRP . 31.7 mtmm 64.88 39.06 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.18 -34.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.56 -69.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 60.66 43.05 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -104.63 108.33 19.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 49' ' ' SER . 3.4 ptp180 -103.35 156.88 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -143.02 148.88 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -54.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -71.2 162.91 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 93.5 p -88.22 -37.57 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -62.2 -50.27 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -45.19 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -49.73 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -57.31 -41.43 79.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -75.16 -25.2 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -86.94 -20.74 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -92.85 -43.52 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -44.64 -29.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -77.36 -41.89 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -160.56 167.42 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -138.25 176.09 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 99.42 1.02 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -111.38 13.71 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.39 -165.03 42.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 150.1 67.54 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.04 16.63 26.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -74.67 117.49 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -154.38 157.44 38.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -128.88 125.5 37.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.2 t -62.76 110.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.47 161.37 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -73.07 133.82 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HB2' ' C ' ' A' ' 28' ' ' THR . 23.2 ptt180 -151.58 110.56 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.86 -67.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.3 m-70 -52.02 108.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 mp -91.21 143.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -69.55 122.53 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.0 m -60.69 -44.05 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -53.18 129.66 50.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.94 55.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . . . 76.23 -51.44 2.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.43 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.2 t -37.99 -60.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.52 50.78 63.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.23 121.86 32.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 29' ' ' TYR . 10.9 m -118.67 154.24 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.465 ' N ' HG21 ' A' ' 28' ' ' THR . 97.5 m-85 -136.8 153.19 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -78.8 -53.53 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 27.5 mmtt -60.94 101.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 68.0 p -40.51 -27.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' HIS . 1.4 t -77.64 -48.61 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' SER . 8.5 m170 -33.2 -57.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -38.54 -58.39 1.04 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -48.32 -43.67 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.95 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' O ' ' CG2' ' A' ' 41' ' ' THR . 55.2 t60 -67.21 -57.71 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -38.98 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.7 mtp180 -51.15 -46.63 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 38' ' ' HIS . 6.3 t -59.02 -29.47 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -75.17 -48.55 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -86.56 123.53 31.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.5 175.94 25.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.43 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.18 -55.41 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.55 120.26 15.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 53.2 Cg_endo -69.76 -38.0 8.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.561 ' CD2' ' HG2' ' A' ' 47' ' ' PRO . 33.4 m-85 -92.08 145.21 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 59.2 p -152.59 124.52 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 t -49.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 59.36 47.62 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' LYS . 43.4 t-105 -89.99 173.58 8.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 52' ' ' TRP . 29.7 tttm -34.11 -69.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -133.86 45.85 1.09 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.2 t -97.96 -64.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 62.94 40.87 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -118.36 115.91 25.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 56.4 mtp180 -100.51 173.07 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.7 m-85 -152.98 155.77 37.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.96 -42.2 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -91.61 147.5 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 m -65.7 -64.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.35 -43.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.24 -46.92 65.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.26 -60.34 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -49.66 -43.65 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -66.8 -24.25 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -89.52 -28.98 19.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 tpp85 -84.03 14.59 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -92.76 -38.65 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -74.39 -28.63 61.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.808 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -88.63 -62.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.922 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -167.93 176.33 6.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.89 -175.54 13.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -161.82 172.5 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -159.66 167.43 28.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.26 125.8 5.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -178.7 2.49 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.09 137.44 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -100.79 112.74 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -72.04 -58.8 3.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 p 52.45 39.6 28.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -66.1 127.61 32.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -147.08 161.8 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -62.4 130.48 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HB2' ' C ' ' A' ' 28' ' ' THR . 13.5 ptp180 -157.98 110.57 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -98.01 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.2 m170 -52.02 109.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.793 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 126.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -52.22 106.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -42.28 -41.58 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -54.06 122.77 37.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 160.1 50.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 -45.8 2.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.13 -45.79 16.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 56.13 50.64 60.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -122.52 147.22 46.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 29' ' ' TYR . 11.9 m -150.79 152.98 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' N ' HG23 ' A' ' 28' ' ' THR . 92.1 m-85 -140.45 149.58 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -75.84 -38.41 58.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 15.8 ttmt -75.19 105.86 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.1 p -37.04 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.0 m -83.64 -45.46 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.7 m170 -35.05 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' SER . 28.9 tp -66.56 -59.26 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -53.04 -34.52 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.33 -24.54 60.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.21 -34.04 16.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -48.06 -33.88 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 41' ' ' THR . 20.8 ptt180 -61.96 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 63.5 p -36.91 -39.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -76.39 -45.24 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.9 t -113.2 110.94 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.65 -160.8 28.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.416 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.16 154.23 18.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG3' ' CA ' ' A' ' 60' ' ' ALA . 3.1 mptt -82.61 111.1 26.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 54.1 Cg_endo -69.79 -15.51 37.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.537 ' CD1' ' HG2' ' A' ' 47' ' ' PRO . 75.4 m-85 -110.32 131.7 54.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.8 p -137.74 165.54 26.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.38 158.11 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -96.34 -37.46 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -56.69 132.74 52.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.43 -48.17 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.18 42.92 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -157.83 109.95 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.2 15.61 20.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -73.59 118.65 16.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -113.43 175.85 5.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -155.59 149.33 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' CA ' ' HG3' ' A' ' 46' ' ' LYS . . . -81.79 -41.65 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.07 150.39 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.0 p -63.11 -56.91 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -40.82 -55.61 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -38.86 -58.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.84 -49.62 74.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 p -49.75 -55.15 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -61.22 -36.52 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.472 ' O ' ' CG2' ' A' ' 71' ' ' THR . 67.3 t60 -63.5 -60.39 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' HIS . 39.8 mmm-85 -36.43 -39.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -44.89 -48.02 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 68' ' ' HIS . 9.8 t -51.05 -31.81 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -152.63 154.98 36.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -155.22 167.67 29.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.39 165.53 33.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -165.62 166.55 18.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -147.57 160.97 42.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.56 152.49 20.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 174.76 8.95 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -121.99 159.65 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.48 134.99 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.72 156.2 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -135.95 159.71 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -109.24 165.24 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -134.61 159.63 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 30' ' ' PHE . 38.9 mm -63.94 126.57 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 12.0 ptt180 -157.78 104.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.421 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.4 m -97.84 -66.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.4 m170 -53.02 104.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 28' ' ' THR . 5.1 mm -85.23 132.65 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -61.95 131.29 49.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -56.47 -49.68 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -59.01 120.24 45.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.702 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 -50.94 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.73 -35.2 16.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 1.8 t -70.41 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.92 55.09 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 18.7 mmmt -118.24 159.81 22.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' HD13 ' A' ' 19' ' ' ILE . 7.4 m -158.02 141.85 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -133.81 154.09 51.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 13.7 p90 -73.15 -57.38 4.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 16.2 mmtm -55.83 106.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 67.6 m -41.47 -32.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 34' ' ' HIS . 78.1 p -76.17 -48.92 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.2 m170 -32.89 -60.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 14.4 tp -41.64 -63.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -44.68 -39.89 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.4 -36.01 68.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 39' ' ' THR . 5.1 t60 -67.36 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 38' ' ' HIS . 26.9 m -32.22 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.9 mtp180 -44.64 -51.08 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.6 t -41.69 -34.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -71.86 -55.12 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -78.56 107.79 11.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.91 159.55 10.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -40.78 -48.37 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -107.29 102.02 41.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.78 -38.6 7.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -64.63 152.96 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -157.7 142.11 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.2 t -110.09 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -104.93 102.0 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 43.1 t-105 -117.95 17.71 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 65.66 41.16 4.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.99 -32.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' CG ' ' A' ' 57' ' ' ARG . 2.0 t -73.05 -66.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 55.05 45.8 25.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' CG ' ' SG ' ' A' ' 55' ' ' CYS . 16.2 mmm180 -109.35 111.4 22.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 4.6 ptp180 -95.82 165.8 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 54.8 m-85 -156.44 109.33 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.19 -42.05 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -80.27 105.65 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.7 p -38.35 -48.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.42 -52.26 54.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -47.92 -50.66 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -60.49 -44.73 95.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -81.35 12.68 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -117.25 -32.21 5.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -81.88 15.51 2.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.7 p -106.98 -35.81 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -83.28 -62.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -163.42 163.3 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.87 114.65 0.41 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -150.78 152.22 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -162.97 168.31 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.7 123.32 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 107.15 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -117.32 16.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.53 173.77 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -71.45 143.65 50.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.9 p -87.88 -56.23 3.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 m -144.41 163.97 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.55 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -93.05 102.67 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 20.7 mt -65.11 129.2 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HB3' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -80.76 112.36 18.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.3 m -97.55 -70.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.4 m-70 -52.67 111.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.77 132.52 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.31 116.28 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -40.96 -48.45 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.96 119.92 45.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.72 -33.58 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 3.7 t -69.51 -52.14 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.71 56.52 20.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 17.2 mmmt -122.44 156.12 34.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.432 ' C ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 m -150.67 147.18 27.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' SER . 96.7 m-85 -134.48 161.05 36.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -90.25 -49.13 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.73 104.35 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.482 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 13.5 t -35.44 -31.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' LYS . 1.7 t -75.97 -46.6 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 8.1 m170 -32.26 -60.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.9 tp -38.58 -48.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' SER . 17.7 mmtp -53.58 -45.33 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.35 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' ARG . 37.2 t60 -65.29 -65.61 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 92.1 m -34.02 -32.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' HIS . 38.1 mtt180 -47.48 -50.09 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 42' ' ' HIS . 11.6 t -50.78 -29.27 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 41' ' ' THR . 56.4 m-70 -80.39 102.93 9.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.9 p -155.41 102.39 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.66 25.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -122.97 161.31 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -138.79 101.95 7.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -66.51 127.61 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.6 p -135.07 134.93 40.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 38.2 t -66.08 161.89 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 23.1 m -125.35 102.24 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 46.5 t-105 -162.72 177.14 9.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -94.01 117.49 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.34 78.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 15.5 t -97.99 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 58.05 44.14 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -125.08 109.03 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -110.15 172.89 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -153.96 153.16 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.17 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -82.6 177.04 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 p -96.27 -53.48 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.41 -49.35 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.41 -49.72 17.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 20.8 tp -61.28 -58.88 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -50.95 -35.75 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' C ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 ttt180 -72.44 -22.06 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 69' ' ' ARG . 5.4 t60 -92.01 -63.64 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 13.7 tpt85 -41.95 -31.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 71' ' ' THR . 11.6 ptp180 -69.45 -39.08 78.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.2 p -57.3 -50.75 71.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -89.53 -44.43 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -135.61 126.4 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.23 140.98 15.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -130.91 117.33 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -153.7 142.87 21.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.64 177.54 18.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 85.05 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.68 171.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.16 150.78 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.48 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -73.49 137.22 44.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -81.55 161.73 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -142.19 141.8 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' C ' ' HG3' ' A' ' 16' ' ' ARG . 63.0 mt -97.3 142.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG3' ' C ' ' A' ' 15' ' ' ILE . 42.6 mtt180 -145.85 115.94 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -97.74 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -54.07 107.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -92.19 140.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -68.2 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 t -43.04 -53.81 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -53.24 123.67 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.288 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.0 -30.84 9.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -78.03 -66.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.08 52.29 24.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -120.46 125.81 48.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.425 HG21 ' C ' ' A' ' 18' ' ' HIS . 5.1 m -115.95 156.85 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -145.22 147.39 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -75.31 -52.71 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 9.4 tptm -61.35 104.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.492 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 26.3 t -38.41 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.4 m -82.63 -46.0 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.525 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 6.0 m170 -35.67 -34.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.3 tp -61.78 -54.84 36.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 1.2 ptmm? -57.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.456 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -73.0 -12.11 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' O ' ' CG2' ' A' ' 41' ' ' THR . 46.6 t60 -102.58 -29.06 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -84.65 -39.13 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -49.41 -23.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 42' ' ' HIS . 9.7 t -88.76 -29.14 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' N ' HG21 ' A' ' 41' ' ' THR . 3.1 m-70 -57.16 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.8 p -62.05 -44.85 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.62 155.01 1.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -90.76 -47.37 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 1.2 mptp? -95.54 106.97 30.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 5.0 m-85 -82.46 128.62 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 p -141.69 133.41 27.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 156.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.7 p -89.86 -42.68 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -52.9 119.75 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' CYS . 26.2 ttmt -57.56 -67.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . -36.91 -31.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.527 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.6 t -71.47 -59.61 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.31 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 55.42 32.07 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -109.5 139.06 44.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.579 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 13.9 ptt-85 -132.71 170.93 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 2.5 m-85 -144.35 155.02 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.17 -35.21 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -94.44 151.37 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.5 p -70.79 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' SER . 3.3 m-20 -37.93 -66.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.23 -51.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 66' ' ' SER . 2.3 tm? -67.9 -68.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.506 ' N ' ' CD1' ' A' ' 65' ' ' LEU . 2.1 m -39.11 -34.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -77.41 -39.13 48.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.7 t60 -61.47 -52.0 66.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.1 mmm180 -38.16 -35.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' HIS . 32.6 mtm180 -49.18 -46.28 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 72' ' ' HIS . 13.9 t -41.61 -23.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.457 ' N ' HG22 ' A' ' 71' ' ' THR . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 p -133.41 134.46 43.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 59.09 42.2 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.78 56.24 4.39 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -81.24 109.74 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 m -132.12 131.22 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.74 150.86 6.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 92.33 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -94.35 -42.1 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.34 -45.17 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.55 122.52 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' SER . 46.5 m -72.02 -54.45 9.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' SER . 28.2 m -34.19 -38.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' SER . 12.2 mmm180 -56.7 156.25 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 33.0 mt 52.17 41.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 28' ' ' THR . 17.8 ptt180 -76.63 106.11 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -52.01 104.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.9 152.51 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -75.47 131.75 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -66.39 -50.66 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.11 130.38 59.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 161.59 45.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 -48.59 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.4 t -41.57 -47.89 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 48.66 50.48 25.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -123.11 120.66 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 16' ' ' ARG . 1.8 m -115.77 151.92 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.68 152.17 47.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -80.12 -49.02 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -59.25 101.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 9.3 p -41.6 -34.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' HIS . 26.8 t -75.77 -48.6 21.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.9 m170 -32.06 -58.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -37.79 -60.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -45.88 -44.18 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.73 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' THR . 27.7 t60 -55.87 -52.38 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -37.29 -39.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 65.5 mtm180 -52.58 -46.19 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 38' ' ' HIS . 12.4 t -42.88 -23.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ARG . 74.6 m-70 -82.26 17.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ARG . 1.9 p -53.33 -56.62 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.71 71.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.7 -64.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.378 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.44 106.1 50.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 97.8 m-85 -126.11 117.59 23.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 p -131.88 130.65 41.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.4 139.04 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -111.52 12.71 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 18.5 t-105 -70.96 136.21 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -61.01 132.9 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.19 -56.72 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.4 t -38.79 -68.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 64.7 37.05 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.52 172.56 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -164.25 166.75 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -154.17 145.76 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.03 88.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -87.8 166.0 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 7.6 t -84.61 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 7.4 p-10 -33.63 -45.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.81 -54.43 46.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -67.52 -56.67 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.474 ' N ' HD12 ' A' ' 65' ' ' LEU . 5.5 p -44.6 -48.2 10.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.0 -34.73 78.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -79.06 -19.59 50.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 tpt85 -88.22 -34.57 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -73.4 -32.92 64.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 72' ' ' HIS . 7.7 t -63.98 -22.59 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.054 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' N ' HG22 ' A' ' 71' ' ' THR . 14.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 65.33 42.54 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.77 -155.56 7.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -153.86 148.39 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m -153.21 162.34 41.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.22 116.42 3.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.15 2.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.656 2.238 . . . . 0.0 112.393 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -60.97 160.23 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -22.97 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -148.94 171.05 16.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 m -131.93 123.02 26.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -120.24 125.5 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -61.88 153.86 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -109.89 148.61 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.095 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 14.6 ptp180 -52.67 112.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HD11 ' A' ' 19' ' ' ILE . 79.4 p -97.92 -71.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 43.1 m-70 -52.28 105.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 17' ' ' SER . 2.9 mm -88.14 114.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.08 110.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 -46.64 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.07 113.69 4.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.02 -31.15 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -49.82 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.13 70.23 0.95 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -133.34 138.02 46.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 18' ' ' HIS . 15.4 m -140.27 141.58 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 38' ' ' HIS . 90.1 m-85 -122.13 143.86 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -66.43 -53.04 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 52.6 mmtt -60.01 102.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.645 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 24.7 p -38.85 -25.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' LYS . 87.6 p -84.41 -49.08 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 3.4 m170 -32.85 -59.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD22 ' ND1' ' A' ' 18' ' ' HIS . 10.0 tp -33.48 -58.18 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -42.97 -43.95 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.2 -36.76 83.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 28.4 t60 -70.51 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -40.8 -31.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -61.15 -43.7 98.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -47.78 -33.36 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -70.14 -58.44 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 t -77.14 147.23 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.97 166.85 13.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CB ' ' HD3' ' A' ' 47' ' ' PRO . 19.5 mt-10 -93.51 -53.27 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 58.1 mttp 61.89 47.97 1.19 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.75 -12.91 33.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.624 2.216 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -106.86 167.79 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -162.59 165.38 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 16.2 t -66.39 165.49 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -89.66 -46.83 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -55.71 124.66 18.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -56.73 -62.05 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.2 -43.36 5.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.9 119.94 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.04 10.72 40.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -74.55 116.48 15.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -108.12 169.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CZ ' ' CG ' ' A' ' 68' ' ' HIS . 34.8 m-85 -148.79 162.88 38.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.77 -46.75 5.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -92.23 131.36 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 t -48.35 -50.27 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.98 -58.46 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -46.51 -46.93 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 10.4 tp -63.97 -49.69 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -54.52 -41.9 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -66.86 -57.02 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ARG . 17.5 t60 -44.75 -53.1 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . 8.7 mtm105 -34.48 -40.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -43.96 -52.33 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -40.74 -33.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -166.08 162.48 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -161.68 160.89 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.98 117.82 0.52 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -149.58 138.56 21.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -131.58 146.2 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.98 -162.77 11.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 143.0 49.29 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.06 -20.94 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 pt -89.43 12.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -43.73 -49.45 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -81.53 -46.51 14.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -44.77 -58.13 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -55.21 150.71 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.8 mt -116.67 139.55 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 36.4 mtm180 -152.26 103.1 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.5 m -97.94 -68.59 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 32' ' ' SER . 11.5 m-70 -52.43 103.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' CG2' ' A' ' 28' ' ' THR . 4.3 mm -84.77 139.77 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.01 123.35 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.81 116.49 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 -46.89 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.597 2.198 . . . . 0.0 112.323 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.55 62.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.524 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.5 t -66.97 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.51 61.22 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 2.0 tppt? -129.97 124.04 32.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 29' ' ' TYR . 11.6 m -130.4 151.94 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.18 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 27' ' ' LYS . 75.8 m-85 -147.49 127.79 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.5 t80 -46.39 -50.35 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 11.2 mmmt -59.67 102.39 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.575 ' HB3' ' CE1' ' A' ' 18' ' ' HIS . 66.3 m -42.19 -48.75 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' HIS . 45.2 p -61.04 -55.14 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' SER . 7.1 m170 -35.04 -63.52 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.668 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -39.66 -67.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 8.0 mtmp? -37.86 -44.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.62 68.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 40' ' ' ARG . 12.7 t60 -48.95 -52.15 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 97.7 m -34.44 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' HIS . 59.9 mtt180 -48.49 -50.07 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 42' ' ' HIS . 14.2 t -47.49 -22.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.431 ' N ' HG21 ' A' ' 41' ' ' THR . 91.3 m-70 -92.28 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.5 t -71.92 155.56 40.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.72 177.74 27.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.42 132.35 33.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -98.41 137.46 20.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.658 0.742 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -2.66 10.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 74.0 m-85 -139.04 117.51 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -123.45 126.31 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -44.05 -51.6 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 m 61.47 46.02 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 15.4 t-105 -84.72 178.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -63.15 -29.29 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.05 32.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 49.8 t -94.64 -58.94 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 58.08 41.16 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -116.63 114.95 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -111.61 158.04 19.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.483 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 22.2 m-85 -130.79 147.33 52.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.39 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -99.8 134.01 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.523 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 67.8 p -48.56 -57.5 6.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -38.14 -53.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 18.7 mm-40 -45.05 -49.6 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.32 -55.86 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -44.59 -42.11 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -73.05 -52.52 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 70' ' ' ARG . 16.2 t60 -47.62 -39.37 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -39.53 -27.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' HIS . 22.2 ptt180 -53.58 -46.35 70.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.416 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 9.8 t -45.51 -22.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -148.23 141.39 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -155.68 158.33 38.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.47 110.82 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -147.4 103.57 3.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.866 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -144.29 154.4 43.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.05 81.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.33 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.294 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.38 156.05 25.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.6 -59.38 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.28 173.64 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -79.43 143.21 35.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.5 p -163.15 163.41 25.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.574 HD11 ' CE1' ' A' ' 30' ' ' PHE . 78.7 mt -65.76 -25.81 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.554 ' CG ' ' O ' ' A' ' 15' ' ' ILE . 8.6 ptm180 48.74 48.02 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.2 m -82.29 -68.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 4.7 m-70 -58.64 102.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 28' ' ' THR . 3.6 mm -88.1 128.61 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -54.19 -24.39 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 t 56.41 32.11 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLY . 9.2 t60 -123.55 137.64 28.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.6 Cg_endo -69.75 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -28.39 71.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -97.9 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 59.85 31.43 71.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.506 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.68 177.77 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.478 HG23 ' CD1' ' A' ' 19' ' ' ILE . 5.9 m -156.52 149.65 24.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -138.65 155.31 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE1' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -87.54 -51.11 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 11.3 mtmt -59.36 102.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.521 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 t -40.11 -36.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' HIS . 70.0 m -69.28 -53.14 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' SER . 3.1 m170 -32.04 -64.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.3 tp -32.27 -54.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -52.65 -50.5 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.37 -29.39 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -83.66 -21.95 32.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' LEU . 90.2 m -88.52 -38.13 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 41' ' ' THR . 6.1 ptp180 -64.32 -31.64 72.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 42' ' ' HIS . 13.0 t -72.1 -37.97 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' N ' HG21 ' A' ' 41' ' ' THR . 2.3 m-70 -43.41 -60.09 1.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -61.94 114.14 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.53 -165.22 38.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -79.15 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -92.24 134.53 28.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -38.08 8.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.276 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 92.9 m-85 -93.94 144.36 25.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.418 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 34.5 p -152.3 125.81 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.97 140.76 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.2 p -105.48 16.9 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 47.8 t-105 -77.21 127.29 32.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.88 129.99 31.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.61 -47.82 3.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 37.6 t -42.16 -62.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 55' ' ' CYS . 4.0 pt-20 50.99 33.19 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -99.73 120.68 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 70.3 mtt180 -108.86 150.53 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.436 ' CD1' HD13 ' A' ' 65' ' ' LEU . 3.3 m-85 -137.26 154.11 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.15 -46.72 9.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -68.43 149.09 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 12.7 t -84.88 -41.48 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.93 -47.39 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -49.44 -49.01 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 59' ' ' PHE . 60.7 tp -62.72 -48.89 77.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -40.42 -50.8 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -70.9 -48.15 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -45.39 -29.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 70' ' ' ARG . 28.1 mmm-85 -96.0 -43.45 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' ARG . 6.0 mtm180 -33.34 -60.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.1 t -85.68 -29.28 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 1.7 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -82.14 13.15 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -63.81 177.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.56 -162.49 9.14 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -153.83 177.74 10.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -112.33 159.46 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.95 167.24 43.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 175.16 8.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -130.7 164.7 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.2 pt -91.28 141.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -91.72 135.32 33.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -102.62 17.96 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 m -81.36 15.21 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.785 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -86.18 18.0 3.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.8 mt -79.97 102.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 14.1 ptp180 -68.63 112.07 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.97 -67.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 10.4 m-70 -51.92 108.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.55 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -57.82 108.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -45.32 -44.6 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -52.87 116.73 9.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.93 58.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.381 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -43.31 2.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.37 -59.23 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 52.48 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.551 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' C ' ' HB2' ' A' ' 16' ' ' ARG . 7.2 m -158.65 149.91 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.416 ' N ' HG21 ' A' ' 28' ' ' THR . 80.1 m-85 -141.18 143.71 34.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.6 t80 -63.78 -59.78 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 14.9 mtpp -55.59 102.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.563 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 12.3 p -38.65 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' HIS . 68.6 m -77.92 -47.75 17.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.51 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.3 m170 -32.8 -51.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' HIS . 43.4 tp -37.31 -56.44 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -50.28 -51.49 44.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.29 -19.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -93.23 -46.59 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 m -46.18 -27.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -48.68 -32.28 8.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 t -80.66 17.02 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 43' ' ' THR . 93.6 m-70 -136.83 178.03 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 42' ' ' HIS . 4.1 t 44.12 32.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.85 165.38 33.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -136.17 146.32 46.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 6.0 mptt -116.45 116.17 39.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.283 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -71.49 120.34 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.5 p -128.18 145.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.39 142.24 57.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -95.2 17.06 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 57.1 t-105 -93.53 120.07 33.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.87 123.65 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.15 -45.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.1 t -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 54.49 41.48 31.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -117.76 128.77 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 87.9 mtm-85 -120.51 176.96 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ARG . 68.4 m-85 -157.82 146.63 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.31 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -94.27 142.81 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 t -64.31 -50.27 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -42.67 -44.56 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.5 -48.88 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.4 tp -52.74 -61.1 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.5 t -52.42 -53.31 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -58.94 -15.09 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 2.0 t60 -98.16 -28.97 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' HIS . 21.3 mmm-85 -82.15 -35.66 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -41.36 -42.16 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.451 ' N ' ' HD3' ' A' ' 70' ' ' ARG . 8.8 t -69.5 -35.0 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.635 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -141.88 175.08 10.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.795 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -141.16 169.46 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.18 127.83 6.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -82.96 17.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -64.95 167.78 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.63 110.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.08 19.76 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' ASP . 10.7 tt0 -85.69 -35.18 21.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.476 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.7 tp 32.78 34.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLN . 37.9 t70 -95.51 139.94 31.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -144.17 158.52 43.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -106.63 138.38 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 14' ' ' ARG . 10.9 ttp-105 -102.95 -6.98 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG21 ' CD1' ' A' ' 30' ' ' PHE . 46.7 mt -61.23 136.19 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 15' ' ' ILE . 14.2 ptp180 -152.17 106.83 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.89 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.4 m170 -52.02 105.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 20' ' ' CYS . 1.4 mp -88.16 105.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.0 t -33.04 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' ILE . 50.5 m 52.79 34.89 17.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 49.5 t60 -105.56 140.02 20.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.79 111.6 2.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.57 2.18 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.92 -38.2 3.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -80.55 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.46 54.8 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -114.35 157.63 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 29' ' ' TYR . 17.3 m -144.53 151.94 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' N ' HG23 ' A' ' 28' ' ' THR . 96.3 m-85 -145.16 151.38 38.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CD1' HG21 ' A' ' 15' ' ' ILE . 16.9 t80 -71.91 -58.55 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 20.1 mmmt -57.06 102.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 77.8 p -42.53 -33.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' HIS . 66.4 m -70.54 -51.71 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 35' ' ' LEU . 4.9 m170 -32.38 -59.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 34' ' ' HIS . 22.9 tp -33.07 -60.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -46.91 -48.1 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -64.47 -42.95 95.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 40' ' ' ARG . 16.2 t60 -59.9 -52.39 65.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' HIS . 90.6 m -32.36 -35.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' HIS . 58.3 mtp180 -45.15 -51.06 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 42' ' ' HIS . 10.1 t -37.55 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 40' ' ' ARG . 18.9 m-70 -97.67 -49.22 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.2 p -98.48 115.34 28.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.8 -64.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -60.81 142.79 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 9.6 mptt -64.83 131.52 95.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.88 27.2 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -131.63 119.18 21.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -124.61 170.36 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.7 t -75.63 149.77 38.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -91.74 -21.96 20.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.754 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 24.9 t-105 -56.24 149.49 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.77 111.25 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.15 34.04 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.6 t -109.4 -28.78 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 39.34 35.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -116.38 110.89 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -108.96 167.09 10.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -148.49 106.93 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 46' ' ' LYS . . . -44.35 -44.64 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -83.72 122.77 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -49.02 -43.34 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -59.51 -52.65 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -44.36 -42.96 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -52.87 -48.35 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.57 -42.49 92.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ARG . 19.8 t60 -64.97 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' HIS . 15.7 mmm-85 -32.81 -37.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' HIS . 42.4 mtt180 -36.9 -48.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.1 t -53.14 -41.47 65.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.754 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -147.6 153.94 40.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -136.17 150.55 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.31 105.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -88.16 117.26 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -90.07 146.84 24.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.79 169.29 35.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 159.33 53.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.77 -43.28 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.3 mm 55.16 47.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.96 -48.78 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 p -55.79 168.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 m -74.99 154.71 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 -127.83 129.12 46.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 15.6 mt -114.76 15.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 16.2 ptp180 -52.41 109.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.98 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.0 m170 -54.73 112.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.63 109.73 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -45.88 -34.65 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m 52.22 35.65 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 9.2 t60 -96.49 139.95 21.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.81 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -46.17 1.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -63.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.06 69.19 1.35 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -121.36 134.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 9.2 m -131.7 143.7 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 34' ' ' HIS . 88.1 m-85 -130.1 156.73 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 6.6 p90 -105.67 -3.55 22.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' SER . 33.7 mmtt -100.06 7.32 44.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 95.9 p 34.4 31.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LYS . 68.4 m -117.98 -38.1 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 29' ' ' TYR . 2.3 m-70 -60.62 -59.64 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' HIS . 35.1 tp -32.33 -43.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.8 -53.54 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -85.08 9.49 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' HIS . 15.0 t60 -116.99 -21.58 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.1 m -83.64 -33.04 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -48.81 -48.93 41.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.511 HG21 ' N ' ' A' ' 42' ' ' HIS . 9.4 t -61.95 -39.55 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' N ' HG21 ' A' ' 41' ' ' THR . 2.9 m-70 -53.95 -52.11 61.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.5 t -69.78 146.52 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.081 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.09 77.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -81.63 -47.21 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -66.55 111.96 8.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -26.73 27.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.401 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 27.4 m-85 -95.7 18.0 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.2 p -52.03 122.6 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.89 163.27 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -149.8 108.54 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 25.9 t-105 -144.7 172.91 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.07 -42.35 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.6 51.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 44.8 t -121.53 123.12 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -112.2 13.23 20.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.42 131.59 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -138.12 133.29 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.68 156.46 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 -40.56 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.72 169.23 17.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 84.0 p -89.0 -47.56 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.21 -53.19 22.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -47.41 -59.32 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -53.94 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -43.71 -41.27 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.1 -41.72 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 9.1 t60 -67.82 -45.56 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ARG . 11.5 mmm180 -36.43 -43.41 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.2 ptm180 -33.88 -44.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 p -47.76 -51.24 23.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -149.38 156.74 42.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -128.34 160.29 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.6 132.38 7.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -144.08 161.22 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.926 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -76.58 148.02 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.42 142.1 15.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 110.7 2.62 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -93.28 128.98 39.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.54 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -83.02 -59.01 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -139.95 132.24 28.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.4 p -99.09 132.59 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -146.12 138.98 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' C ' ' HD3' ' A' ' 16' ' ' ARG . 4.8 mp -79.59 146.21 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HD3' ' C ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -147.7 139.1 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' HG22 ' A' ' 28' ' ' THR . 67.6 m -147.17 173.13 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 37.9 m-70 66.47 48.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -55.87 112.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.7 t -33.49 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.4 t 53.98 32.11 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 7.4 t60 -101.09 141.18 22.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.8 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.75 -48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -63.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.35 99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.31 160.56 37.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 17' ' ' SER . 1.7 m -134.39 163.03 30.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 17' ' ' SER . 84.4 m-85 -157.9 102.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' N ' ' H ' ' A' ' 17' ' ' SER . 3.6 p90 -37.33 -46.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 1.6 tppt? -69.39 128.03 35.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 33.5 p -62.18 -42.13 98.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -64.72 -46.02 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 m170 -37.68 -53.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.8 tp -48.04 -51.16 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.91 -39.2 62.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.24 53.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 6.1 t60 -64.56 -62.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 52.6 m -35.84 -41.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -52.36 -46.62 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.4 p -38.02 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -74.92 -61.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 t -64.43 139.98 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.42 -159.58 27.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.411 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.0 155.63 39.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.389 . . . . 0.0 110.917 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -106.15 112.2 64.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -50.42 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 86.6 m-85 -78.03 120.65 23.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.487 ' HA ' ' CB ' ' A' ' 58' ' ' ARG . 75.9 p -133.88 136.32 44.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -50.45 -66.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 t 58.79 47.86 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LYS . 55.1 t-105 -83.97 173.89 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' TRP . 20.4 tptm -33.94 -47.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.64 39.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.03 135.52 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -115.83 13.16 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -75.3 149.31 38.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 11.7 ptp85 -150.2 176.86 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 8.1 m-85 -154.79 158.93 40.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . . . -74.15 -51.27 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -88.75 139.09 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.1 t -61.0 -46.35 91.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.66 -51.56 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.43 -52.61 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 tp -49.85 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t -38.16 -47.78 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -59.13 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 5.5 t60 -40.4 -53.35 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -37.25 -45.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' ARG . 60.7 mtt180 -35.22 -50.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.1 p -40.23 -52.39 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -145.81 152.97 40.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -139.67 125.35 19.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.87 -158.99 28.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -127.38 152.97 46.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -86.65 -59.81 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.31 128.02 1.06 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.08 46.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -93.38 132.13 37.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 10' ' ' ILE . 5.3 mp -125.11 108.98 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -87.28 173.38 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 t -142.49 151.4 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -149.68 170.49 18.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' HB3' ' CG ' ' A' ' 30' ' ' PHE . 21.5 mmt180 -116.44 156.36 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.4 105.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 16.1 ptt-85 -66.16 104.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.84 -70.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' CG ' ' HA ' ' A' ' 32' ' ' SER . 17.0 m-70 -53.71 109.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 mp -93.4 153.1 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' SER . 44.6 t -65.72 102.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 33.7 t -36.78 -38.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -58.83 128.92 84.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 148.31 65.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.736 2.29 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.97 -40.82 3.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.01 -69.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.37 -22.53 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -52.05 106.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 HG22 ' C ' ' A' ' 18' ' ' HIS . 7.4 m -102.27 155.41 18.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.57 133.47 34.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 14' ' ' ARG . 2.7 p90 -60.19 -42.04 94.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.6 106.29 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.571 ' HA ' ' CG ' ' A' ' 18' ' ' HIS . 8.0 t -42.11 -57.95 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -53.89 -58.42 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' SER . 11.2 m170 -32.56 -65.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.655 ' C ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -37.42 -62.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.608 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 5.1 mtpm? -48.0 -47.09 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.22 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' THR . 23.6 t60 -88.96 -43.3 11.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -43.33 -33.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.87 -36.0 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' HIS . 44.4 p -39.19 -36.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -76.36 -56.27 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 t -80.08 122.06 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.43 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.96 -56.76 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -87.97 108.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -28.23 25.87 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.67 157.15 16.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.9 p -160.85 155.1 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.88 123.44 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -87.77 6.8 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -61.29 158.09 15.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 125.29 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.15 -37.95 3.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.416 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 t -40.43 -68.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.13 41.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -134.53 110.75 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -100.67 178.5 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.37 169.89 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.64 -50.02 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -82.51 155.81 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.33 -40.98 22.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.84 -56.56 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -48.99 -42.0 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.61 -41.38 79.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -55.62 -39.8 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -83.8 -26.58 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 2.0 t60 -84.57 -10.36 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -94.11 -48.39 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -63.92 -27.28 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -66.89 -36.1 81.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -144.7 118.69 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -151.15 173.03 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.77 116.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -149.15 142.65 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -152.02 162.64 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.3 113.34 1.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.48 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.305 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -61.85 129.99 43.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 pt -112.49 158.87 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.46 153.45 42.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -45.63 -56.63 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.4 p -99.27 124.49 44.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' C ' HG13 ' A' ' 15' ' ' ILE . 24.2 ptt180 -82.42 15.33 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' CD1' ' A' ' 30' ' ' PHE . 36.7 mt -143.45 121.82 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 13.3 ptt85 -150.61 108.29 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -98.03 -65.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -51.88 105.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.3 mp -86.17 137.69 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' SER . 8.7 t -65.47 110.91 2.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 40.7 t -34.47 -50.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.69 119.8 50.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.06 -36.02 34.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.88 -58.36 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.15 51.67 26.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.27 138.78 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 14.7 m -138.36 150.06 46.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' N ' HG22 ' A' ' 28' ' ' THR . 80.3 m-85 -140.58 142.31 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 15' ' ' ILE . 9.3 t80 -63.84 -57.45 9.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 24.0 mmtm -52.89 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 58.7 m -41.43 -29.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 34' ' ' HIS . 9.9 t -77.33 -48.93 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 5.0 m170 -32.65 -57.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 tp -40.32 -54.78 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -48.65 -42.06 33.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.79 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -72.26 -23.82 61.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -86.04 -29.62 23.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -45.68 -50.12 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 42' ' ' HIS . 9.3 t -62.36 -46.22 89.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.429 ' N ' HG21 ' A' ' 41' ' ' THR . 23.1 m-70 -46.11 -50.16 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p -81.83 -61.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.48 -139.53 10.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 15.9 mt-10 -88.08 -65.3 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' CE ' ' HB2' ' A' ' 58' ' ' ARG . 8.9 pttt -50.96 105.71 0.56 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.76 -27.82 25.98 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.387 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 62' ' ' SER . 69.4 m-85 -82.43 18.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.2 p -57.91 127.44 32.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -52.22 150.79 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 t -111.07 17.12 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.472 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 1.1 t-105 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -98.0 -69.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.55 41.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 52' ' ' TRP . 1.4 t -55.26 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 58.42 46.09 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 14.8 mmt180 -117.98 111.08 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -93.31 161.42 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.464 ' C ' ' HB2' ' A' ' 46' ' ' LYS . 4.7 m-85 -152.68 127.69 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . . . -73.63 -28.2 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.57 ' HA ' ' CD2' ' A' ' 48' ' ' PHE . 36.3 p -83.5 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -39.81 -48.35 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -43.28 -55.16 4.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' ARG . 34.8 tp -61.6 -47.64 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -50.19 -53.52 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -75.62 -27.75 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CD2' ' CE2' ' A' ' 59' ' ' PHE . 42.1 t60 -76.68 -20.15 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 15.4 mmt180 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 1.9 ptm85 -48.31 -20.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.4 ' HG1' ' N ' ' A' ' 72' ' ' HIS . 73.1 p -81.85 -36.39 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.4 ' N ' ' HG1' ' A' ' 71' ' ' THR . 4.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -85.66 17.79 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -81.34 176.41 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.67 155.84 21.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -122.11 130.43 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.413 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 169.32 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.18 -153.45 6.52 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 120.13 6.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.779 2.319 . . . . 0.0 112.305 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.11 -42.09 93.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -138.96 152.77 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -85.77 167.81 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -139.51 125.14 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.3 p -167.91 161.99 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt 60.86 48.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 56.2 mtm180 -74.39 108.36 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -97.88 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 -179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m-70 -53.4 103.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 17' ' ' SER . 13.4 mm -86.77 135.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.5 t -57.96 135.67 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -74.71 -44.9 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -54.66 127.2 59.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 156.86 62.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.33 -43.14 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.88 -43.69 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.29 56.12 8.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -121.68 158.39 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.498 ' CG2' ' HB3' ' A' ' 16' ' ' ARG . 5.6 m -154.11 151.07 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' N ' HG23 ' A' ' 28' ' ' THR . 68.8 m-85 -141.41 120.67 13.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.75 -50.62 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 1.5 mptp? -57.47 124.83 20.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.585 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 8.5 t -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' HIS . 18.5 t -69.99 -45.65 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 2.3 m170 -32.69 -61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.3 tp -39.43 -60.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -44.7 -42.28 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.2 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' THR . 49.0 t60 -66.01 -58.88 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -41.28 -34.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -62.25 -40.69 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 38' ' ' HIS . 53.5 p -53.65 -40.83 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -47.84 -47.76 31.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p 55.17 38.27 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.8 -102.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -117.95 166.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 61.98 46.98 0.99 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.605 0.717 . . . . 0.0 110.832 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.5 Cg_endo -69.84 2.93 3.12 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 152.78 48.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 53.2 p -159.15 158.43 32.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.25 115.4 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -85.5 111.01 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -168.72 177.94 4.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -99.16 115.35 28.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.29 -42.41 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.523 ' C ' ' HG3' ' A' ' 56' ' ' GLU . 6.4 t -59.09 -61.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HG3' ' C ' ' A' ' 55' ' ' CYS . 2.1 pp20? 36.68 40.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 13.0 mmt180 -105.8 121.12 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 20.8 mtp180 -106.66 169.15 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -150.46 164.74 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.39 -48.22 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -96.11 136.87 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t -56.48 -50.18 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -38.27 -52.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -53.45 -55.12 27.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.85 -56.37 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -39.73 -52.44 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' CD ' ' HD3' ' A' ' 70' ' ' ARG . 5.7 tmm_? -65.33 -59.87 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.0 t60 -41.28 -50.2 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' HIS . 22.4 mmt180 -36.28 -43.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' ARG . 8.5 ptm180 -35.27 -47.49 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.5 p -39.77 -47.08 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -155.9 131.74 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -167.75 154.27 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 172.7 35.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -162.93 157.58 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -109.38 177.91 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.23 -162.56 9.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.427 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.86 2.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -125.45 147.37 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.3 177.22 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.65 177.06 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -77.65 102.02 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -97.66 -49.96 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.573 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 8.3 mpt_? -59.41 178.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.96 108.13 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 13.2 ptt180 -72.88 108.26 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.41 ' O ' HD13 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -97.94 -68.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.587 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 12.4 m-70 -51.96 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 17' ' ' SER . 3.1 mm -86.58 148.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.4 t -69.49 114.13 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' CYS . 15.7 t -35.56 -58.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.31 118.64 32.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.536 0.684 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.41 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.374 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.04 9.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.73 -67.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.59 78.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -150.99 158.74 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 6.6 m -155.58 151.97 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' N ' HG21 ' A' ' 28' ' ' THR . 59.1 m-85 -144.29 125.86 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 14' ' ' ARG . 5.2 p90 -45.22 -47.66 12.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 18.0 mmtp -62.64 113.83 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.587 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 30.3 p -50.2 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' HIS . 63.8 p -47.42 -55.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 m170 -33.73 -68.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.654 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -34.91 -68.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 3.4 mtpm? -37.43 -40.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -68.56 -45.45 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 2.1 t60 -58.2 -15.24 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -88.25 -36.05 16.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -73.2 -13.04 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.3 t -88.21 -14.86 37.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -66.88 -45.64 77.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -51.75 -43.1 62.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 163.56 2.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -109.11 144.14 37.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 58' ' ' ARG . 45.6 mmtt -136.43 102.33 9.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.62 7.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.7 m-85 -87.54 129.02 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 p -145.91 116.86 7.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.6 t -52.11 151.56 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -119.72 107.39 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -162.28 173.67 13.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -96.04 109.86 22.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.62 -48.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.6 t -50.13 -68.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.31 45.62 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -109.55 149.68 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.643 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -144.71 174.06 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 3.4 m-85 -151.29 177.99 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.85 -39.02 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -94.75 145.61 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -71.91 -20.84 61.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.36 -45.32 19.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -64.78 -39.01 92.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 65' ' ' LEU . 3.3 t -43.14 -48.59 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -56.07 -36.5 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.584 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -73.7 -19.0 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -80.38 -49.65 11.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -58.6 -31.27 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 72' ' ' HIS . 34.1 p -61.88 -47.76 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' THR . 15.6 m-70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -160.49 159.22 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -119.89 171.86 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.03 -152.45 12.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -153.74 164.67 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -100.6 175.29 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.22 -147.94 4.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 147.35 62.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.755 2.303 . . . . 0.0 112.282 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -150.99 116.66 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 11' ' ' ASP . 5.2 mp -111.71 137.23 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.6 m-20 -54.9 160.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -95.44 -46.23 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -68.13 140.59 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.99 160.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 16' ' ' ARG . 4.9 mp -59.38 138.37 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' CB ' HG23 ' A' ' 28' ' ' THR . 10.0 ptm180 -146.62 104.41 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -97.93 -75.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -73.63 101.97 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.41 112.75 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.15 -34.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 55.35 33.87 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.542 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 22.1 t60 -107.68 141.27 22.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.2 Cg_endo -69.7 116.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.82 -46.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -60.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.42 60.11 7.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -124.43 161.62 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 29' ' ' TYR . 63.4 m -148.93 159.01 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.65 ' N ' HG22 ' A' ' 28' ' ' THR . 95.1 m-85 -151.05 105.42 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -32.13 -56.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HD2' ' CD2' ' A' ' 34' ' ' HIS . 3.1 ttmm -60.27 151.73 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.573 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 78.1 p -80.14 -42.93 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.8 p -65.91 -40.19 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' CD2' ' HD2' ' A' ' 31' ' ' LYS . 6.3 m170 -40.01 -68.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -39.62 -47.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -54.48 -40.1 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -70.74 -39.75 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' ARG . 7.4 t60 -66.25 -46.36 77.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.6 m -34.66 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' HIS . 76.1 mtp180 -47.41 -52.12 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 42' ' ' HIS . 15.0 t -44.27 -24.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.432 ' N ' HG23 ' A' ' 41' ' ' THR . 31.8 m-70 -94.42 -44.48 7.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.8 m -68.76 128.13 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.45 -44.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -68.91 147.53 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 60.15 45.4 1.06 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.8 Cg_endo -69.75 -24.78 29.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.6 m-85 -94.67 151.4 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.0 p -157.35 134.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.37 158.92 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -140.68 108.54 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.8 t-105 -146.04 172.24 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -41.89 -63.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.51 39.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.6 t -74.03 -68.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.727 0.299 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 57.15 45.1 21.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -133.5 110.11 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 3.9 ptp180 -103.67 170.79 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -148.61 162.54 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.25 -44.99 9.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -84.0 155.2 22.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 47.8 p -80.12 -42.53 23.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -52.84 -57.88 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -43.88 -49.21 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.46 -45.33 80.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.5 m -50.15 -35.4 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -89.72 -37.64 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -72.25 -16.01 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.7 -46.44 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.43 -23.29 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 t -75.11 -35.25 61.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.86 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 58.05 41.61 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -90.12 142.89 27.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.75 174.92 39.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -161.04 166.13 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -163.98 166.51 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 103.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 177.76 5.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.98 162.01 15.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 pt -133.91 166.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -123.79 165.74 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 p -110.28 167.68 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -120.7 151.4 39.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' HD2' ' CE2' ' A' ' 30' ' ' PHE . 17.2 mmt85 -140.1 116.86 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.79 112.17 36.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER -71.94 105.88 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.96 -69.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 11.6 m-70 -52.32 106.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.1 154.51 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 t -70.62 130.62 42.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -66.19 -41.15 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -55.09 119.23 21.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.672 0.748 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 156.79 62.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.7 -43.21 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.94 -66.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.55 73.31 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -136.69 159.04 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 3.5 m -160.95 152.01 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -150.55 127.84 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 31' ' ' LYS . 1.6 p90 -50.25 -34.06 21.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.5 mmtp -68.54 102.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.557 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 16.9 p -44.18 -45.86 8.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' HIS . 31.1 p -67.6 -54.4 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' LEU . 8.2 m170 -35.12 -65.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.653 ' CD2' ' C ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -33.15 -68.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.599 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 54.8 mttm -36.29 -46.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' THR . . . -61.73 -57.18 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.053 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 19.4 t60 -44.67 -21.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 30.4 m -91.21 -41.73 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.23 -10.09 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -95.31 -26.78 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' THR . 7.0 m-70 -57.94 -37.18 73.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 75.0 p -36.79 -41.34 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.36 116.8 2.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.45 168.65 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -101.93 106.15 45.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.55 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 62' ' ' SER . 69.2 m-85 -65.96 132.75 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -136.03 156.05 49.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.7 159.29 33.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -39.7 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.428 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -52.38 134.13 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 55' ' ' CYS . . . -51.1 -48.51 46.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t -35.16 -67.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 58.25 44.03 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -123.73 111.14 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.588 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 65.8 mtt85 -98.81 177.52 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.2 m-85 -156.19 142.54 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.06 -42.66 75.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 153.02 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 m -77.98 -40.08 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.64 -48.53 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -48.12 -48.19 34.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.11 -62.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 t -43.15 -50.3 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -61.51 -37.76 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.57 -57.16 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' THR . 17.6 mtm180 -41.78 -45.03 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' ARG . 85.0 mtt-85 -33.68 -35.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ARG . 72.6 p -56.89 -51.98 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.7 p-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -167.61 171.9 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -164.42 174.68 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.58 -176.22 28.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 p -154.12 170.91 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.761 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -152.29 174.52 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.3 128.2 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 154.28 68.14 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.402 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.48 161.45 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.26 156.14 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.71 140.78 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -65.46 -48.84 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.1 m -131.44 108.91 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.452 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 8.3 ttp-105 -131.87 172.02 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.86 133.87 63.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 28' ' ' THR . 0.0 OUTLIER -148.62 117.7 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -98.0 -69.26 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 9.9 m170 -52.33 110.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -93.32 144.31 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 2.2 t -62.51 133.68 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 t -72.81 -43.82 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -56.76 126.74 72.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.713 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.55 69.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 -40.22 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.36 -58.94 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.86 53.32 27.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 3.7 tppt? -125.26 124.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 16' ' ' ARG . 34.3 m -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' N ' HG21 ' A' ' 28' ' ' THR . 64.6 m-85 -129.73 148.74 51.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -74.09 -51.18 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' SER . 26.9 mmtm -62.07 102.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 69.7 p -37.82 -32.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -73.53 -50.04 23.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.7 m170 -32.22 -57.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.9 tp -40.64 -46.75 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' SER . 37.5 ttpt -54.55 -40.71 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.49 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 27' ' ' LYS . 25.5 t60 -66.42 -46.73 75.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -43.8 -34.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -45.54 -50.73 12.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 42' ' ' HIS . 8.9 t -39.89 -29.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 41' ' ' THR . 27.1 m-70 -107.4 120.41 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 42' ' ' HIS . 2.7 t 49.98 32.03 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.72 -38.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -108.07 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -116.45 116.72 38.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 69.3 m-85 -76.41 148.39 37.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.45 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 49.4 p -153.31 147.11 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -112.88 107.91 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -98.16 102.01 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 52.3 t-105 -117.95 17.81 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 52' ' ' TRP . 31.7 mtmm 64.88 39.06 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.18 -34.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.56 -69.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 60.66 43.05 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -104.63 108.33 19.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 49' ' ' SER . 3.4 ptp180 -103.35 156.88 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -143.02 148.88 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -54.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -71.2 162.91 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 93.5 p -88.22 -37.57 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -62.2 -50.27 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -45.19 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -49.73 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -57.31 -41.43 79.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -75.16 -25.2 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -86.94 -20.74 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -92.85 -43.52 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -44.64 -29.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.6 t -77.36 -41.89 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' A' ' 28' ' ' THR . 23.2 ptt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.86 -67.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.3 m-70 -52.02 108.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -91.21 143.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -69.55 122.53 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.0 m -60.69 -44.05 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -53.18 129.66 50.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.94 55.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . . . 76.23 -51.44 2.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.43 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.2 t -37.99 -60.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.52 50.78 63.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.23 121.86 32.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 18' ' ' HIS . 10.9 m -118.67 154.24 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.8 153.19 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -78.8 -53.53 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 27.5 mmtt -60.94 101.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 68.0 p -40.51 -27.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' HIS . 1.4 t -77.64 -48.61 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' SER . 8.5 m170 -33.2 -57.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -38.54 -58.39 1.04 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -48.32 -43.67 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.95 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.941 ' O ' HG22 ' A' ' 41' ' ' THR . 55.2 t60 -67.21 -57.71 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -38.98 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.7 mtp180 -51.15 -46.63 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.3 t -59.02 -29.47 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 53.2 Cg_endo -69.76 -38.0 8.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 47' ' ' PRO . 33.4 m-85 -92.08 145.21 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 59.2 p -152.59 124.52 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 t -49.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 59.36 47.62 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' LYS . 43.4 t-105 -89.99 173.58 8.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 52' ' ' TRP . 29.7 tttm -34.11 -69.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -133.86 45.85 1.09 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.2 t -97.96 -64.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 62.94 40.87 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -118.36 115.91 25.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 56.4 mtp180 -100.51 173.07 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.7 m-85 -152.98 155.77 37.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.96 -42.2 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -91.61 147.5 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 m -65.7 -64.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.35 -43.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.24 -46.92 65.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' A' ' 69' ' ' ARG . 49.7 tp -61.26 -60.34 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -49.66 -43.65 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -66.8 -24.25 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -89.52 -28.98 19.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 65' ' ' LEU . 3.7 tpp85 -84.03 14.59 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -92.76 -38.65 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -74.39 -28.63 61.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.808 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.5 ptp180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -98.01 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.2 m170 -52.02 109.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.793 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.6 mp -95.04 126.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' HD11 ' A' ' 35' ' ' LEU . 41.8 t -52.22 106.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -42.28 -41.58 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -54.06 122.77 37.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 160.1 50.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 -45.8 2.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.13 -45.79 16.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 56.13 50.64 60.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -122.52 147.22 46.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 18' ' ' HIS . 11.9 m -150.79 152.98 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CG ' ' HB3' ' A' ' 34' ' ' HIS . 92.1 m-85 -140.45 149.58 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -75.84 -38.41 58.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 15.8 ttmt -75.19 105.86 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.1 p -37.04 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.0 m -83.64 -45.46 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.7 m170 -35.05 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 20' ' ' CYS . 28.9 tp -66.56 -59.26 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -53.04 -34.52 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.33 -24.54 60.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.21 -34.04 16.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -48.06 -33.88 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 41' ' ' THR . 20.8 ptt180 -61.96 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 63.5 p -36.91 -39.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 3.1 mptt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 54.1 Cg_endo -69.79 -15.51 37.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 47' ' ' PRO . 75.4 m-85 -110.32 131.7 54.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.8 p -137.74 165.54 26.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.38 158.11 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -96.34 -37.46 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -56.69 132.74 52.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.43 -48.17 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.18 42.92 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -157.83 109.95 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.2 15.61 20.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -73.59 118.65 16.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -113.43 175.85 5.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -155.59 149.33 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.496 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -81.79 -41.65 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.07 150.39 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.0 p -63.11 -56.91 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -40.82 -55.61 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -38.86 -58.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.84 -49.62 74.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 p -49.75 -55.15 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -61.22 -36.52 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 71' ' ' THR . 67.3 t60 -63.5 -60.39 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' HIS . 39.8 mmm-85 -36.43 -39.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -44.89 -48.02 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 1.013 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -51.05 -31.81 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 28' ' ' THR . 12.0 ptt180 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.813 0.34 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.84 -66.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.849 ' HB3' HD22 ' A' ' 35' ' ' LEU . 9.4 m170 -53.02 104.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.777 HD13 ' CG2' ' A' ' 28' ' ' THR . 5.1 mm -85.23 132.65 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 35' ' ' LEU . 46.5 t -61.95 131.29 49.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -56.47 -49.68 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -59.01 120.24 45.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.702 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 -50.94 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.73 -35.2 16.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 1.8 t -70.41 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.92 55.09 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 18.7 mmmt -118.24 159.81 22.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.777 ' CG2' HD13 ' A' ' 19' ' ' ILE . 7.4 m -158.02 141.85 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -133.81 154.09 51.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 13.7 p90 -73.15 -57.38 4.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 16.2 mmtm -55.83 106.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 67.6 m -41.47 -32.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 34' ' ' HIS . 78.1 p -76.17 -48.92 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.2 m170 -32.89 -60.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.849 HD22 ' HB3' ' A' ' 18' ' ' HIS . 14.4 tp -41.64 -63.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -44.68 -39.89 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.4 -36.01 68.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 41' ' ' THR . 5.1 t60 -67.36 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 38' ' ' HIS . 26.9 m -32.22 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.9 mtp180 -44.64 -51.08 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.6 t -41.69 -34.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.529 0.681 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.78 -38.6 7.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 65' ' ' LEU . 79.1 m-85 -64.63 152.96 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -157.7 142.11 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.2 t -110.09 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -104.93 102.0 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 43.1 t-105 -117.95 17.71 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 65.66 41.16 4.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.99 -32.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' CG ' ' A' ' 57' ' ' ARG . 2.0 t -73.05 -66.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 55.05 45.8 25.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' CG ' ' SG ' ' A' ' 55' ' ' CYS . 16.2 mmm180 -109.35 111.4 22.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 4.6 ptp180 -95.82 165.8 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 54.8 m-85 -156.44 109.33 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -49.19 -42.05 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -80.27 105.65 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.7 p -38.35 -48.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.42 -52.26 54.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -47.92 -50.66 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 48' ' ' PHE . 29.1 tp -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -60.49 -44.73 95.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -81.35 12.68 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -117.25 -32.21 5.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HE ' HD11 ' A' ' 65' ' ' LEU . 31.8 mtt180 -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -81.88 15.51 2.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.7 p -106.98 -35.81 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.816 0.341 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.3 m -97.55 -70.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CB ' ' A' ' 32' ' ' SER . 7.9 m80 -52.67 111.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -95.77 132.52 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.111 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.31 116.28 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -40.96 -48.45 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.96 119.92 45.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.72 -33.58 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 3.7 t -69.51 -52.14 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.71 56.52 20.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 17.2 mmmt -122.44 156.12 34.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.436 ' C ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 m -150.67 147.18 27.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' SER . 96.7 m-85 -134.48 161.05 36.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -90.25 -49.13 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.73 104.35 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 13.5 t -35.44 -31.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' LYS . 1.7 t -75.97 -46.6 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 8.1 m170 -32.26 -60.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.9 tp -38.58 -48.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' SER . 17.7 mmtp -53.58 -45.33 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.35 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' ARG . 37.2 t60 -65.29 -65.61 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 92.1 m -34.02 -32.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' HIS . 38.1 mtt180 -47.48 -50.09 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 38' ' ' HIS . 11.6 t -50.78 -29.27 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -66.51 127.61 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.6 p -135.07 134.93 40.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 65' ' ' LEU . 38.2 t -66.08 161.89 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 23.1 m -125.35 102.24 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 55' ' ' CYS . 46.5 t-105 -162.72 177.14 9.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -94.01 117.49 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.34 78.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 15.5 t -97.99 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 58.05 44.14 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -125.08 109.03 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -110.15 172.89 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -153.96 153.16 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.17 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -82.6 177.04 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 p -96.27 -53.48 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.41 -49.35 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.41 -49.72 17.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 50' ' ' CYS . 20.8 tp -61.28 -58.88 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -50.95 -35.75 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 71' ' ' THR . 37.8 ttt180 -72.44 -22.06 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 69' ' ' ARG . 5.4 t60 -92.01 -63.64 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 13.7 tpt85 -41.95 -31.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 71' ' ' THR . 11.6 ptp180 -69.45 -39.08 78.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.2 p -57.3 -50.75 71.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 28' ' ' THR . 42.6 mtt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -97.74 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -54.07 107.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -92.19 140.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 42.6 t -68.2 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 t -43.04 -53.81 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -53.24 123.67 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.288 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.0 -30.84 9.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -78.03 -66.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.08 52.29 24.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 73.4 mttt -120.46 125.81 48.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 18' ' ' HIS . 5.1 m -115.95 156.85 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -145.22 147.39 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -75.31 -52.71 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 9.4 tptm -61.35 104.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 26.3 t -38.41 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.4 m -82.63 -46.0 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 6.0 m170 -35.67 -34.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.3 tp -61.78 -54.84 36.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 1.2 ptmm? -57.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -73.0 -12.11 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.644 ' O ' HG22 ' A' ' 41' ' ' THR . 46.6 t60 -102.58 -29.06 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -84.65 -39.13 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -49.41 -23.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.7 t -88.76 -29.14 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 1.2 mptp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 5.0 m-85 -82.46 128.62 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 p -141.69 133.41 27.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 156.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.7 p -89.86 -42.68 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -52.9 119.75 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' CYS . 26.2 ttmt -57.56 -67.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . -36.91 -31.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.527 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.6 t -71.47 -59.61 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.31 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 55.42 32.07 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -109.5 139.06 44.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.579 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 13.9 ptt-85 -132.71 170.93 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 2.5 m-85 -144.35 155.02 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -78.17 -35.21 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -94.44 151.37 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.5 p -70.79 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' SER . 3.3 m-20 -37.93 -66.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.23 -51.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.3 tm? -67.9 -68.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.631 ' N ' HD13 ' A' ' 65' ' ' LEU . 2.1 m -39.11 -34.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -77.41 -39.13 48.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 71' ' ' THR . 0.7 OUTLIER -61.47 -52.0 66.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.1 mmm180 -38.16 -35.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' HIS . 32.6 mtm180 -49.18 -46.28 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.9 t -41.61 -23.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' ARG . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 28' ' ' THR . 17.8 ptt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -52.01 104.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 19' ' ' ILE . 2.1 mp -84.9 152.51 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -75.47 131.75 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -66.39 -50.66 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.539 ' CD2' ' HD2' ' A' ' 23' ' ' PRO . 1.8 t-80 -54.11 130.38 59.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.78 161.59 45.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 -48.59 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.4 t -41.57 -47.89 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 48.66 50.48 25.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -123.11 120.66 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ILE . 1.8 m -115.77 151.92 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.68 152.17 47.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -80.12 -49.02 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -59.25 101.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 9.3 p -41.6 -34.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' HIS . 26.8 t -75.77 -48.6 21.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 5.9 m170 -32.06 -58.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 18' ' ' HIS . 37.6 tp -37.79 -60.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -45.88 -44.18 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.73 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 41' ' ' THR . 27.7 t60 -55.87 -52.38 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -37.29 -39.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' HIS . 65.5 mtm180 -52.58 -46.19 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.4 t -42.88 -23.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ARG . 74.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 62' ' ' SER . 97.8 m-85 -126.11 117.59 23.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 p -131.88 130.65 41.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.4 139.04 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -111.52 12.71 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 18.5 t-105 -70.96 136.21 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -61.01 132.9 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.19 -56.72 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.4 t -38.79 -68.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 64.7 37.05 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.52 172.56 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -164.25 166.75 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -154.17 145.76 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.03 88.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -87.8 166.0 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.6 t -84.61 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 7.4 p-10 -33.63 -45.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.81 -54.43 46.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -67.52 -56.67 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.828 ' N ' HD13 ' A' ' 65' ' ' LEU . 5.5 p -44.6 -48.2 10.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.0 -34.73 78.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 71' ' ' THR . 0.2 OUTLIER -79.06 -19.59 50.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 tpt85 -88.22 -34.57 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -73.4 -32.92 64.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 68' ' ' HIS . 7.7 t -63.98 -22.59 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.054 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.4 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 14.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.594 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.6 ptp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -97.92 -71.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' THR . 43.1 m-70 -52.28 105.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 28' ' ' THR . 2.9 mm -88.14 114.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.08 110.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 -46.64 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.07 113.69 4.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.02 -31.15 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -49.82 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.13 70.23 0.95 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -133.34 138.02 46.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.007 HG23 ' O ' ' A' ' 18' ' ' HIS . 15.4 m -140.27 141.58 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 38' ' ' HIS . 90.1 m-85 -122.13 143.86 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -66.43 -53.04 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 52.6 mmtt -60.01 102.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 24.7 p -38.85 -25.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' LYS . 87.6 p -84.41 -49.08 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 3.4 m170 -32.85 -59.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 18' ' ' HIS . 10.0 tp -33.48 -58.18 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -42.97 -43.95 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.2 -36.76 83.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 28.4 t60 -70.51 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -40.8 -31.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -61.15 -43.7 98.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -47.78 -33.36 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 58.1 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.75 -12.91 33.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.624 2.216 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -106.86 167.79 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -162.59 165.38 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 16.2 t -66.39 165.49 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -89.66 -46.83 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -55.71 124.66 18.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -56.73 -62.05 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.2 -43.36 5.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.9 119.94 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.04 10.72 40.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -74.55 116.48 15.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -108.12 169.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CZ ' ' CG ' ' A' ' 68' ' ' HIS . 34.8 m-85 -148.79 162.88 38.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.77 -46.75 5.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -92.23 131.36 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 t -48.35 -50.27 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.98 -58.46 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -46.51 -46.93 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 10.4 tp -63.97 -49.69 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -54.52 -41.9 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -66.86 -57.02 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.789 ' O ' HG22 ' A' ' 71' ' ' THR . 17.5 t60 -44.75 -53.1 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . 8.7 mtm105 -34.48 -40.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -43.96 -52.33 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' HIS . 12.3 t -40.74 -33.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HB3' HG22 ' A' ' 28' ' ' THR . 36.4 mtm180 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -97.94 -68.59 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.59 ' HD1' HD12 ' A' ' 35' ' ' LEU . 11.5 m-70 -52.43 103.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 28' ' ' THR . 4.3 mm -84.77 139.77 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.01 123.35 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.81 116.49 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 -46.89 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.597 2.198 . . . . 0.0 112.323 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.55 62.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.524 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.5 t -66.97 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.51 61.22 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 2.0 tppt? -129.97 124.04 32.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.603 ' CG2' HD13 ' A' ' 19' ' ' ILE . 11.6 m -130.4 151.94 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.18 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 27' ' ' LYS . 75.8 m-85 -147.49 127.79 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.5 t80 -46.39 -50.35 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 11.2 mmmt -59.67 102.39 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.3 m -42.19 -48.75 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' HIS . 45.2 p -61.04 -55.14 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 7.1 m170 -35.04 -63.52 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.66 -67.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 35' ' ' LEU . 8.0 mtmp? -37.86 -44.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -60.59 -51.62 68.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' THR . 12.7 t60 -48.95 -52.15 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 97.7 m -34.44 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' HIS . 59.9 mtt180 -48.49 -50.07 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 38' ' ' HIS . 14.2 t -47.49 -22.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.658 0.742 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -2.66 10.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 74.0 m-85 -139.04 117.51 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -123.45 126.31 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -44.05 -51.6 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 m 61.47 46.02 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.492 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 15.4 t-105 -84.72 178.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -63.15 -29.29 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.05 32.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 49.8 t -94.64 -58.94 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 58.08 41.16 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -116.63 114.95 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -111.61 158.04 19.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 22.2 m-85 -130.79 147.33 52.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.39 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -99.8 134.01 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.536 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 67.8 p -48.56 -57.5 6.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -38.14 -53.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 18.7 mm-40 -45.05 -49.6 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 48' ' ' PHE . 13.0 tp -64.32 -55.86 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -44.59 -42.11 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -73.05 -52.52 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 71' ' ' THR . 16.2 t60 -47.62 -39.37 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -39.53 -27.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' HIS . 22.2 ptt180 -53.58 -46.35 70.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -45.51 -22.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.434 ' CD2' HG23 ' A' ' 71' ' ' THR . 62.7 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' O ' HG21 ' A' ' 28' ' ' THR . 8.6 ptm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -82.29 -68.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 4.7 m-70 -58.64 102.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.829 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.6 mm -88.1 128.61 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -54.19 -24.39 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 t 56.41 32.11 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLY . 9.2 t60 -123.55 137.64 28.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.6 Cg_endo -69.75 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -28.39 71.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -97.9 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 59.85 31.43 71.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.506 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.68 177.77 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.829 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.9 m -156.52 149.65 24.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -138.65 155.31 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -87.54 -51.11 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 11.3 mtmt -59.36 102.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 t -40.11 -36.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' HIS . 70.0 m -69.28 -53.14 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' SER . 3.1 m170 -32.04 -64.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.3 tp -32.27 -54.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -52.65 -50.5 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.37 -29.39 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' THR . 38.9 t60 -83.66 -21.95 32.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' LEU . 90.2 m -88.52 -38.13 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' THR . 6.1 ptp180 -64.32 -31.64 72.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 13.0 t -72.1 -37.97 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -38.08 8.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.276 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.743 ' HB3' HD22 ' A' ' 65' ' ' LEU . 92.9 m-85 -93.94 144.36 25.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 34.5 p -152.3 125.81 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.97 140.76 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.2 p -105.48 16.9 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 47.8 t-105 -77.21 127.29 32.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.88 129.99 31.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.61 -47.82 3.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 37.6 t -42.16 -62.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 55' ' ' CYS . 4.0 pt-20 50.99 33.19 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -99.73 120.68 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 70.3 mtt180 -108.86 150.53 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 3.3 m-85 -137.26 154.11 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.15 -46.72 9.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -68.43 149.09 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 12.7 t -84.88 -41.48 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.93 -47.39 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -49.44 -49.01 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.7 tp -62.72 -48.89 77.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -40.42 -50.8 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -70.9 -48.15 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -45.39 -29.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 70' ' ' ARG . 28.1 mmm-85 -96.0 -43.45 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' ARG . 6.0 mtm180 -33.34 -60.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.1 t -85.68 -29.28 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.1 ptp180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.97 -67.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 10.4 m-70 -51.92 108.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -90.55 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -57.82 108.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -45.32 -44.6 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -52.87 116.73 9.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.93 58.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.381 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -43.31 2.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.37 -59.23 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 52.48 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.551 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 16' ' ' ARG . 7.2 m -158.65 149.91 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -141.18 143.71 34.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.6 t80 -63.78 -59.78 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 14.9 mtpp -55.59 102.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 12.3 p -38.65 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' HIS . 68.6 m -77.92 -47.75 17.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.3 m170 -32.8 -51.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' HIS . 43.4 tp -37.31 -56.44 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -50.28 -51.49 44.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.29 -19.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.574 ' O ' HG22 ' A' ' 41' ' ' THR . 61.6 t60 -93.23 -46.59 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 m -46.18 -27.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -48.68 -32.28 8.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.4 t -80.66 17.02 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 6.0 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.283 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 97.0 m-85 -71.49 120.34 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.5 p -128.18 145.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.39 142.24 57.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -95.2 17.06 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.434 ' CG ' ' NE2' ' A' ' 72' ' ' HIS . 57.1 t-105 -93.53 120.07 33.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.87 123.65 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.15 -45.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.1 t -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 54.49 41.48 31.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -117.76 128.77 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 87.9 mtm-85 -120.51 176.96 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ARG . 68.4 m-85 -157.82 146.63 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.31 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -94.27 142.81 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 t -64.31 -50.27 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -42.67 -44.56 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.5 -48.88 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.4 tp -52.74 -61.1 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.5 t -52.42 -53.31 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -58.94 -15.09 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 71' ' ' THR . 2.0 t60 -98.16 -28.97 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' HIS . 21.3 mmm-85 -82.15 -35.66 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -41.36 -42.16 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 68' ' ' HIS . 8.8 t -69.5 -35.0 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.2 ptp180 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.89 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.4 m170 -52.02 105.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -88.16 105.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.0 t -33.04 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' ILE . 50.5 m 52.79 34.89 17.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 49.5 t60 -105.56 140.02 20.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.79 111.6 2.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.57 2.18 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.92 -38.2 3.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -80.55 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.46 54.8 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 12.3 tptm -114.35 157.63 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.527 HG23 ' C ' ' A' ' 18' ' ' HIS . 17.3 m -144.53 151.94 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' C ' ' HA ' ' A' ' 16' ' ' ARG . 96.3 m-85 -145.16 151.38 38.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 16.9 t80 -71.91 -58.55 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 20.1 mmmt -57.06 102.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 77.8 p -42.53 -33.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' HIS . 66.4 m -70.54 -51.71 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 4.9 m170 -32.38 -59.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 34' ' ' HIS . 22.9 tp -33.07 -60.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -46.91 -48.1 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -64.47 -42.95 95.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.544 ' O ' HG22 ' A' ' 41' ' ' THR . 16.2 t60 -59.9 -52.39 65.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' HIS . 90.6 m -32.36 -35.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' HIS . 58.3 mtp180 -45.15 -51.06 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 38' ' ' HIS . 10.1 t -37.55 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.533 ' CE1' HG23 ' A' ' 41' ' ' THR . 18.9 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 9.6 mptt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.88 27.2 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -131.63 119.18 21.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -124.61 170.36 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.7 t -75.63 149.77 38.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -91.74 -21.96 20.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.754 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 24.9 t-105 -56.24 149.49 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.77 111.25 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.15 34.04 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 10.6 t -109.4 -28.78 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 55' ' ' CYS . 16.8 pt-20 39.34 35.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -116.38 110.89 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -108.96 167.09 10.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -148.49 106.93 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 46' ' ' LYS . . . -44.35 -44.64 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' NE ' ' HB3' ' A' ' 63' ' ' ASP . 25.3 ttp180 -83.72 122.77 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -49.02 -43.34 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 42.6 t0 -59.51 -52.65 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -44.36 -42.96 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 50' ' ' CYS . 35.3 tp -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -52.87 -48.35 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.57 -42.49 92.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.827 ' O ' HG22 ' A' ' 71' ' ' THR . 19.8 t60 -64.97 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' HIS . 15.7 mmm-85 -32.81 -37.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' HIS . 42.4 mtt180 -36.9 -48.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 68' ' ' HIS . 3.1 t -53.14 -41.47 65.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.754 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 28' ' ' THR . 16.2 ptp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.98 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' THR . 8.0 m170 -54.73 112.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -98.63 109.73 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -45.88 -34.65 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m 52.22 35.65 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 34.7 t-80 -96.49 139.95 21.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.81 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -46.17 1.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.42 -63.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.06 69.19 1.35 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 21.3 tptt -121.36 134.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.2 m -131.7 143.7 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 34' ' ' HIS . 88.1 m-85 -130.1 156.73 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 6.6 p90 -105.67 -3.55 22.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' SER . 33.7 mmtt -100.06 7.32 44.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . 95.9 p 34.4 31.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LYS . 68.4 m -117.98 -38.1 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 29' ' ' TYR . 2.3 m-70 -60.62 -59.64 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' HIS . 35.1 tp -32.33 -43.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.8 -53.54 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -85.08 9.49 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' HIS . 15.0 t60 -116.99 -21.58 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 92.1 m -83.64 -33.04 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -48.81 -48.93 41.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.4 t -61.95 -39.55 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' THR . 2.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -26.73 27.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.401 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 27.4 m-85 -95.7 18.0 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.2 p -52.03 122.6 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.89 163.27 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -149.8 108.54 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 25.9 t-105 -144.7 172.91 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.07 -42.35 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.6 51.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 44.8 t -121.53 123.12 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -112.2 13.23 20.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.42 131.59 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -138.12 133.29 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.68 156.46 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 -40.56 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.72 169.23 17.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 84.0 p -89.0 -47.56 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.21 -53.19 22.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -47.41 -59.32 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -53.94 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -43.71 -41.27 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.1 -41.72 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 9.1 t60 -67.82 -45.56 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ARG . 11.5 mmm180 -36.43 -43.41 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.2 ptm180 -33.88 -44.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 p -47.76 -51.24 23.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.872 0.367 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.506 ' H ' ' N ' ' A' ' 30' ' ' PHE . 67.6 m -147.17 173.13 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.707 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.9 m-70 66.47 48.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.722 HG13 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -55.87 112.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.7 t -33.49 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.4 t 53.98 32.11 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 7.4 t60 -101.09 141.18 22.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.8 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.75 -48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -63.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.35 99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.31 160.56 37.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG13 ' A' ' 19' ' ' ILE . 1.7 m -134.39 163.03 30.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 17' ' ' SER . 84.4 m-85 -157.9 102.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.506 ' N ' ' H ' ' A' ' 17' ' ' SER . 3.6 p90 -37.33 -46.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 1.6 tppt? -69.39 128.03 35.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 33.5 p -62.18 -42.13 98.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -64.72 -46.02 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 m170 -37.68 -53.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 18' ' ' HIS . 53.8 tp -48.04 -51.16 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.91 -39.2 62.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.24 53.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 6.1 t60 -64.56 -62.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 52.6 m -35.84 -41.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -52.36 -46.62 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.4 p -38.02 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -50.42 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 86.6 m-85 -78.03 120.65 23.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 58' ' ' ARG . 75.9 p -133.88 136.32 44.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -50.45 -66.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 t 58.79 47.86 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LYS . 55.1 t-105 -83.97 173.89 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' TRP . 20.4 tptm -33.94 -47.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.64 39.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.03 135.52 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -115.83 13.16 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -75.3 149.31 38.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 11.7 ptp85 -150.2 176.86 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 8.1 m-85 -154.79 158.93 40.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.15 -51.27 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.75 139.09 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.1 t -61.0 -46.35 91.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.66 -51.56 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.43 -52.61 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 48' ' ' PHE . 20.1 tp -49.85 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t -38.16 -47.78 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -59.13 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 5.5 t60 -40.4 -53.35 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -37.25 -45.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' ARG . 60.7 mtt180 -35.22 -50.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.1 p -40.23 -52.39 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 16.1 ptt-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.84 -70.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.582 ' CG ' ' HA ' ' A' ' 32' ' ' SER . 23.6 m80 -53.71 109.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.1 mp -93.4 153.1 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' SER . 44.6 t -65.72 102.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 33.7 t -36.78 -38.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -58.83 128.92 84.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 148.31 65.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.736 2.29 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.97 -40.82 3.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.01 -69.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.37 -22.53 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -52.05 106.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 19' ' ' ILE . 7.4 m -102.27 155.41 18.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.57 133.47 34.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 p90 -60.19 -42.04 94.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.6 106.29 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.582 ' HA ' ' CG ' ' A' ' 18' ' ' HIS . 8.0 t -42.11 -57.95 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -53.89 -58.42 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' SER . 11.2 m170 -32.56 -65.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.033 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -37.42 -62.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 1.033 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.1 mtpm? -48.0 -47.09 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.22 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' HA ' HG23 ' A' ' 41' ' ' THR . 8.6 t-80 -88.96 -43.3 11.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -43.33 -33.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.87 -36.0 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 38' ' ' HIS . 44.4 p -39.19 -36.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mttp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -28.23 25.87 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.67 157.15 16.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.9 p -160.85 155.1 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.88 123.44 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -87.77 6.8 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -61.29 158.09 15.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 125.29 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.15 -37.95 3.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.416 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 t -40.43 -68.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.13 41.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -134.53 110.75 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -100.67 178.5 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.37 169.89 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.64 -50.02 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -82.51 155.81 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.33 -40.98 22.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.84 -56.56 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -48.99 -42.0 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.61 -41.38 79.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -55.62 -39.8 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -83.8 -26.58 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 2.0 t60 -84.57 -10.36 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -94.11 -48.39 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -63.92 -27.28 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -66.89 -36.1 81.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.3 ptt85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -98.03 -65.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' THR . 9.7 m170 -51.88 105.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.668 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -86.17 137.69 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 35' ' ' LEU . 8.7 t -65.47 110.91 2.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 40.7 t -34.47 -50.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.69 119.8 50.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.06 -36.02 34.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.88 -58.36 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.15 51.67 26.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.27 138.78 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' HIS . 14.7 m -138.36 150.06 46.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -140.58 142.31 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.84 -57.45 9.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 24.0 mmtm -52.89 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 58.7 m -41.43 -29.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 34' ' ' HIS . 9.9 t -77.33 -48.93 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 5.0 m170 -32.65 -57.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 20' ' ' CYS . 16.3 tp -40.32 -54.78 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -48.65 -42.06 33.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.79 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -72.26 -23.82 61.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -86.04 -29.62 23.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -45.68 -50.12 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 42' ' ' HIS . 9.3 t -62.36 -46.22 89.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.519 ' N ' HG23 ' A' ' 41' ' ' THR . 23.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CE ' ' HB2' ' A' ' 58' ' ' ARG . 8.9 pttt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.562 0.696 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.76 -27.82 25.98 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.387 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 69.4 m-85 -82.43 18.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 25.2 p -57.91 127.44 32.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 27.4 t -52.22 150.79 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 t -111.07 17.12 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 1.1 t-105 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -98.0 -69.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.55 41.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 52' ' ' TRP . 1.4 t -55.26 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 58.42 46.09 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 14.8 mmt180 -117.98 111.08 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -93.31 161.42 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.485 ' C ' ' HB2' ' A' ' 46' ' ' LYS . 4.7 m-85 -152.68 127.69 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . . . -73.63 -28.2 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p -83.5 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -39.81 -48.35 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -43.28 -55.16 4.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD11 ' HE ' ' A' ' 69' ' ' ARG . 34.8 tp -61.6 -47.64 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -50.19 -53.52 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 71' ' ' THR . 6.3 tpp180 -75.62 -27.75 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CD2' ' CE2' ' A' ' 59' ' ' PHE . 42.1 t60 -76.68 -20.15 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HE ' HD11 ' A' ' 65' ' ' LEU . 15.4 mmt180 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 1.9 ptm85 -48.31 -20.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 67' ' ' ARG . 73.1 p -81.85 -36.39 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB3' HG22 ' A' ' 28' ' ' THR . 56.2 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.658 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 4.7 m80 -53.4 103.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 28' ' ' THR . 13.4 mm -86.77 135.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.5 t -57.96 135.67 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -74.71 -44.9 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -54.66 127.2 59.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 156.86 62.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.33 -43.14 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.88 -43.69 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.29 56.12 8.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -121.68 158.39 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.729 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.6 m -154.11 151.07 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -141.41 120.67 13.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.75 -50.62 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 1.5 mptp? -57.47 124.83 20.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.658 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 8.5 t -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' HIS . 18.5 t -69.99 -45.65 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 2.3 m170 -32.69 -61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.3 tp -39.43 -60.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -44.7 -42.28 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.2 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' THR . 49.0 t60 -66.01 -58.88 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -41.28 -34.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -62.25 -40.69 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 38' ' ' HIS . 53.5 p -53.65 -40.83 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.1 m80 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.605 0.717 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.5 Cg_endo -69.84 2.93 3.12 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 152.78 48.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 53.2 p -159.15 158.43 32.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.25 115.4 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -85.5 111.01 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -168.72 177.94 4.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -99.16 115.35 28.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.29 -42.41 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.512 ' C ' ' HG3' ' A' ' 56' ' ' GLU . 6.4 t -59.09 -61.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HG3' ' C ' ' A' ' 55' ' ' CYS . 2.1 pp20? 36.68 40.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 13.0 mmt180 -105.8 121.12 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 20.8 mtp180 -106.66 169.15 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -150.46 164.74 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.39 -48.22 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -96.11 136.87 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t -56.48 -50.18 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -38.27 -52.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -53.45 -55.12 27.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.85 -56.37 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -39.73 -52.44 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' CD ' ' HD3' ' A' ' 70' ' ' ARG . 5.7 tmm_? -65.33 -59.87 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' ARG . 0.9 OUTLIER -41.28 -50.2 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' HIS . 22.4 mmt180 -36.28 -43.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HD3' ' CD ' ' A' ' 67' ' ' ARG . 8.5 ptm180 -35.27 -47.49 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.5 p -39.77 -47.08 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.2 ptt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -68.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 28' ' ' THR . 12.4 m-70 -51.96 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.609 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.1 mm -86.58 148.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.4 t -69.49 114.13 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' CYS . 15.7 t -35.56 -58.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.31 118.64 32.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.536 0.684 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.41 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.374 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.04 9.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.73 -67.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.59 78.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -150.99 158.74 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' HIS . 6.6 m -155.58 151.97 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.29 125.86 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 5.2 p90 -45.22 -47.66 12.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 18.0 mmtp -62.64 113.83 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.593 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 30.3 p -50.2 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' HIS . 63.8 p -47.42 -55.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 m170 -33.73 -68.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -34.91 -68.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 1.014 ' N ' HD13 ' A' ' 35' ' ' LEU . 3.4 mtpm? -37.43 -40.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -68.56 -45.45 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.605 ' O ' HG22 ' A' ' 41' ' ' THR . 2.1 t60 -58.2 -15.24 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -88.25 -36.05 16.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -73.2 -13.04 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 5.3 t -88.21 -14.86 37.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CB ' ' HD3' ' A' ' 58' ' ' ARG . 45.6 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.583 0.706 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.62 7.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.7 m-85 -87.54 129.02 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . 29.7 p -145.91 116.86 7.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ARG . 5.6 t -52.11 151.56 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -119.72 107.39 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -162.28 173.67 13.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -96.04 109.86 22.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.62 -48.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.6 t -50.13 -68.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.31 45.62 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 50' ' ' CYS . 6.1 mmp_? -109.55 149.68 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.643 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -144.71 174.06 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 3.4 m-85 -151.29 177.99 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HD3' ' A' ' 46' ' ' LYS . . . -96.85 -39.02 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -94.75 145.61 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -71.91 -20.84 61.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.36 -45.32 19.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -64.78 -39.01 92.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 65' ' ' LEU . 3.3 t -43.14 -48.59 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 71' ' ' THR . 55.8 ttp85 -56.07 -36.5 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -19.0 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -80.38 -49.65 11.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -58.6 -31.27 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 67' ' ' ARG . 34.1 p -61.88 -47.76 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' THR . 15.6 m-70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB2' HG21 ' A' ' 28' ' ' THR . 10.0 ptm180 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -97.93 -75.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -73.63 101.97 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.41 112.75 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.15 -34.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 55.35 33.87 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 48.3 t-80 -107.68 141.27 22.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.2 Cg_endo -69.7 116.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.82 -46.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -60.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.42 60.11 7.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -124.43 161.62 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 16' ' ' ARG . 63.4 m -148.93 159.01 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' N ' HG22 ' A' ' 28' ' ' THR . 95.1 m-85 -151.05 105.42 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -32.13 -56.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 3.1 ttmm -60.27 151.73 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 78.1 p -80.14 -42.93 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.8 p -65.91 -40.19 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.434 ' CE1' ' HD2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -40.01 -68.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 18' ' ' HIS . 30.9 tp -39.62 -47.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -54.48 -40.1 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -70.74 -39.75 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 41' ' ' THR . 1.4 t-80 -66.25 -46.36 77.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.6 m -34.66 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' HIS . 76.1 mtp180 -47.41 -52.12 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.0 t -44.27 -24.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.605 0.717 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.8 Cg_endo -69.75 -24.78 29.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.6 m-85 -94.67 151.4 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.0 p -157.35 134.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.37 158.92 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -140.68 108.54 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 9.8 t-105 -146.04 172.24 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -41.89 -63.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.51 39.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 2.6 t -74.03 -68.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.727 0.299 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 57.15 45.1 21.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -133.5 110.11 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 3.9 ptp180 -103.67 170.79 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -148.61 162.54 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.25 -44.99 9.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -84.0 155.2 22.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 47.8 p -80.12 -42.53 23.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -52.84 -57.88 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -43.88 -49.21 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.46 -45.33 80.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.5 m -50.15 -35.4 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -89.72 -37.64 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -72.25 -16.01 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.7 -46.44 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.43 -23.29 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.2 t -75.11 -35.25 61.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.96 -69.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 11.6 m-70 -52.32 106.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -88.1 154.51 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 t -70.62 130.62 42.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -66.19 -41.15 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -55.09 119.23 21.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.672 0.748 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 156.79 62.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.7 -43.21 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.94 -66.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.55 73.31 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 159.04 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' HB2' ' A' ' 16' ' ' ARG . 3.5 m -160.95 152.01 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -150.55 127.84 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 31' ' ' LYS . 1.6 p90 -50.25 -34.06 21.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.5 mmtp -68.54 102.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 16.9 p -44.18 -45.86 8.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' HIS . 31.1 p -67.6 -54.4 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' LEU . 8.2 m170 -35.12 -65.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -33.15 -68.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 1.003 ' N ' HD13 ' A' ' 35' ' ' LEU . 54.8 mttm -36.29 -46.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' THR . . . -61.73 -57.18 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.053 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.54 ' O ' HG22 ' A' ' 41' ' ' THR . 19.4 t60 -44.67 -21.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 30.4 m -91.21 -41.73 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.23 -10.09 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.9 t -95.31 -26.78 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mttm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.78 -48.55 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 62' ' ' SER . 69.2 m-85 -65.96 132.75 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -136.03 156.05 49.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.7 159.29 33.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -39.7 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -52.38 134.13 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 55' ' ' CYS . . . -51.1 -48.51 46.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t -35.16 -67.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 58.25 44.03 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -123.73 111.14 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.588 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 65.8 mtt85 -98.81 177.52 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.2 m-85 -156.19 142.54 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.423 ' CB ' ' HE ' ' A' ' 61' ' ' ARG . . . -69.06 -42.66 75.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HE ' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -88.6 153.02 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 m -77.98 -40.08 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.64 -48.53 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -48.12 -48.19 34.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.11 -62.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 t -43.15 -50.3 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -61.51 -37.76 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.57 -57.16 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' THR . 17.6 mtm180 -41.78 -45.03 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' ARG . 85.0 mtt-85 -33.68 -35.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ARG . 72.6 p -56.89 -51.98 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 p80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.71 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.798 0.332 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -98.0 -69.26 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.772 ' O ' HG23 ' A' ' 28' ' ' THR . 9.9 m170 -52.33 110.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -93.32 144.31 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 2.2 t -62.51 133.68 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 t -72.81 -43.82 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -56.76 126.74 72.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.713 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.55 69.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 -40.22 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.36 -58.94 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.86 53.32 27.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 3.7 tppt? -125.26 124.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' HIS . 34.3 m -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -129.73 148.74 51.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -74.09 -51.18 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB2' ' ND1' ' A' ' 34' ' ' HIS . 26.9 mmtm -62.07 102.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 69.7 p -37.82 -32.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -73.53 -50.04 23.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.7 m170 -32.22 -57.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 18' ' ' HIS . 32.9 tp -40.64 -46.75 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' SER . 37.5 ttpt -54.55 -40.71 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.49 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' THR . 25.5 t60 -66.42 -46.73 75.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -43.8 -34.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -45.54 -50.73 12.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 38' ' ' HIS . 8.9 t -39.89 -29.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 41' ' ' THR . 27.1 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.572 0.701 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 69.3 m-85 -76.41 148.39 37.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 49.4 p -153.31 147.11 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -112.88 107.91 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -98.16 102.01 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 52.3 t-105 -117.95 17.81 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 52' ' ' TRP . 31.7 mtmm 64.88 39.06 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.18 -34.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.56 -69.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 60.66 43.05 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -104.63 108.33 19.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 49' ' ' SER . 3.4 ptp180 -103.35 156.88 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -143.02 148.88 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -54.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -71.2 162.91 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 93.5 p -88.22 -37.57 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -62.2 -50.27 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -45.19 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 48' ' ' PHE . 57.7 tp -63.87 -49.73 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -57.31 -41.43 79.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -75.16 -25.2 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' THR . 1.2 t-80 -86.94 -20.74 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -92.85 -43.52 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -44.64 -29.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 72' ' ' HIS . 9.6 t -77.36 -41.89 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 71' ' ' THR . 11.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -160.56 167.42 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -138.25 176.09 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 99.42 1.02 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -111.38 13.71 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.39 -165.03 42.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 150.1 67.54 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.04 16.63 26.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -74.67 117.49 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -154.38 157.44 38.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -128.88 125.5 37.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.2 t -62.76 110.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.47 161.37 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -73.07 133.82 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' A' ' 28' ' ' THR . 23.2 ptt180 -151.58 110.56 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.86 -67.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.3 m-70 -52.02 108.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -91.21 143.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -69.55 122.53 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.0 m -60.69 -44.05 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -53.18 129.66 50.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.94 55.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . . . 76.23 -51.44 2.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.43 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.2 t -37.99 -60.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.52 50.78 63.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.23 121.86 32.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 18' ' ' HIS . 10.9 m -118.67 154.24 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.8 153.19 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -78.8 -53.53 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 27.5 mmtt -60.94 101.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 68.0 p -40.51 -27.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' HIS . 1.4 t -77.64 -48.61 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' SER . 8.5 m170 -33.2 -57.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -38.54 -58.39 1.04 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -48.32 -43.67 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.95 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.941 ' O ' HG22 ' A' ' 41' ' ' THR . 55.2 t60 -67.21 -57.71 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -38.98 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.7 mtp180 -51.15 -46.63 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.3 t -59.02 -29.47 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -75.17 -48.55 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -86.56 123.53 31.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.5 175.94 25.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.43 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.18 -55.41 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.55 120.26 15.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 53.2 Cg_endo -69.76 -38.0 8.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 47' ' ' PRO . 33.4 m-85 -92.08 145.21 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 59.2 p -152.59 124.52 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 t -49.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 59.36 47.62 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' LYS . 43.4 t-105 -89.99 173.58 8.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 52' ' ' TRP . 29.7 tttm -34.11 -69.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -133.86 45.85 1.09 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.2 t -97.96 -64.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 62.94 40.87 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -118.36 115.91 25.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 56.4 mtp180 -100.51 173.07 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.7 m-85 -152.98 155.77 37.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.96 -42.2 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -91.61 147.5 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 m -65.7 -64.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.35 -43.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.24 -46.92 65.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' A' ' 69' ' ' ARG . 49.7 tp -61.26 -60.34 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -49.66 -43.65 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -66.8 -24.25 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -89.52 -28.98 19.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 65' ' ' LEU . 3.7 tpp85 -84.03 14.59 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -92.76 -38.65 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -74.39 -28.63 61.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.808 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -88.63 -62.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.922 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -167.93 176.33 6.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.89 -175.54 13.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -161.82 172.5 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -159.66 167.43 28.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.26 125.8 5.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -178.7 2.49 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.09 137.44 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -100.79 112.74 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -72.04 -58.8 3.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 p 52.45 39.6 28.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -66.1 127.61 32.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -147.08 161.8 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -62.4 130.48 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.5 ptp180 -157.98 110.57 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -98.01 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.2 m170 -52.02 109.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.793 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.6 mp -95.04 126.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' HD11 ' A' ' 35' ' ' LEU . 41.8 t -52.22 106.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -42.28 -41.58 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -54.06 122.77 37.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 160.1 50.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 -45.8 2.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.13 -45.79 16.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 56.13 50.64 60.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -122.52 147.22 46.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 18' ' ' HIS . 11.9 m -150.79 152.98 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CG ' ' HB3' ' A' ' 34' ' ' HIS . 92.1 m-85 -140.45 149.58 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -75.84 -38.41 58.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 15.8 ttmt -75.19 105.86 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.1 p -37.04 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.0 m -83.64 -45.46 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.7 m170 -35.05 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 20' ' ' CYS . 28.9 tp -66.56 -59.26 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -53.04 -34.52 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.33 -24.54 60.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.21 -34.04 16.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -48.06 -33.88 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 41' ' ' THR . 20.8 ptt180 -61.96 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 63.5 p -36.91 -39.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -76.39 -45.24 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 43' ' ' THR . 9.9 t -113.2 110.94 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.65 -160.8 28.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.416 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.16 154.23 18.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 3.1 mptt -82.61 111.1 26.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 54.1 Cg_endo -69.79 -15.51 37.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 47' ' ' PRO . 75.4 m-85 -110.32 131.7 54.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.8 p -137.74 165.54 26.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.38 158.11 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -96.34 -37.46 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -56.69 132.74 52.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.43 -48.17 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.18 42.92 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -157.83 109.95 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.2 15.61 20.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -73.59 118.65 16.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -113.43 175.85 5.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -155.59 149.33 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.496 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -81.79 -41.65 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.07 150.39 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.0 p -63.11 -56.91 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -40.82 -55.61 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -38.86 -58.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.84 -49.62 74.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 p -49.75 -55.15 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -61.22 -36.52 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 71' ' ' THR . 67.3 t60 -63.5 -60.39 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' HIS . 39.8 mmm-85 -36.43 -39.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -44.89 -48.02 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 1.013 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -51.05 -31.81 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -152.63 154.98 36.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -155.22 167.67 29.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.39 165.53 33.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -165.62 166.55 18.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -147.57 160.97 42.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.56 152.49 20.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 174.76 8.95 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -121.99 159.65 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.48 134.99 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.72 156.2 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -135.95 159.71 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -109.24 165.24 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -134.61 159.63 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.67 HG22 ' HB3' ' A' ' 30' ' ' PHE . 38.9 mm -63.94 126.57 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 28' ' ' THR . 12.0 ptt180 -157.78 104.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.84 -66.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.849 ' HB3' HD22 ' A' ' 35' ' ' LEU . 9.4 m170 -53.02 104.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.777 HD13 ' CG2' ' A' ' 28' ' ' THR . 5.1 mm -85.23 132.65 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 35' ' ' LEU . 46.5 t -61.95 131.29 49.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -56.47 -49.68 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -59.01 120.24 45.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.702 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 -50.94 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.73 -35.2 16.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 1.8 t -70.41 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.92 55.09 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 18.7 mmmt -118.24 159.81 22.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.777 ' CG2' HD13 ' A' ' 19' ' ' ILE . 7.4 m -158.02 141.85 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -133.81 154.09 51.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.67 ' HB3' HG22 ' A' ' 15' ' ' ILE . 13.7 p90 -73.15 -57.38 4.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 16.2 mmtm -55.83 106.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 67.6 m -41.47 -32.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 34' ' ' HIS . 78.1 p -76.17 -48.92 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.2 m170 -32.89 -60.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.849 HD22 ' HB3' ' A' ' 18' ' ' HIS . 14.4 tp -41.64 -63.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -44.68 -39.89 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.4 -36.01 68.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 41' ' ' THR . 5.1 t60 -67.36 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 38' ' ' HIS . 26.9 m -32.22 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.9 mtp180 -44.64 -51.08 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.6 t -41.69 -34.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -71.86 -55.12 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 43' ' ' THR . 4.0 t -78.56 107.79 11.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.91 159.55 10.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -40.78 -48.37 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -107.29 102.02 41.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.78 -38.6 7.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 65' ' ' LEU . 79.1 m-85 -64.63 152.96 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -157.7 142.11 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.2 t -110.09 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -104.93 102.0 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 43.1 t-105 -117.95 17.71 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 65.66 41.16 4.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.99 -32.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' CG ' ' A' ' 57' ' ' ARG . 2.0 t -73.05 -66.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 55.05 45.8 25.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' CG ' ' SG ' ' A' ' 55' ' ' CYS . 16.2 mmm180 -109.35 111.4 22.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 4.6 ptp180 -95.82 165.8 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 54.8 m-85 -156.44 109.33 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -49.19 -42.05 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -80.27 105.65 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.7 p -38.35 -48.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.42 -52.26 54.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -47.92 -50.66 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 48' ' ' PHE . 29.1 tp -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -60.49 -44.73 95.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -81.35 12.68 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -117.25 -32.21 5.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HE ' HD11 ' A' ' 65' ' ' LEU . 31.8 mtt180 -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -81.88 15.51 2.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.7 p -106.98 -35.81 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -83.28 -62.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -163.42 163.3 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.87 114.65 0.41 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -150.78 152.22 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -162.97 168.31 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.7 123.32 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 107.15 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -117.32 16.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.53 173.77 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -71.45 143.65 50.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.9 p -87.88 -56.23 3.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 m -144.41 163.97 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -93.05 102.67 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 20.7 mt -65.11 129.2 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -80.76 112.36 18.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.3 m -97.55 -70.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.445 ' CE1' ' CB ' ' A' ' 32' ' ' SER . 7.9 m80 -52.67 111.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -95.77 132.52 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.111 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.31 116.28 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -40.96 -48.45 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.96 119.92 45.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.72 -33.58 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 3.7 t -69.51 -52.14 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.71 56.52 20.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 17.2 mmmt -122.44 156.12 34.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.436 ' C ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 m -150.67 147.18 27.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' SER . 96.7 m-85 -134.48 161.05 36.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -90.25 -49.13 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.73 104.35 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.445 ' CB ' ' CE1' ' A' ' 18' ' ' HIS . 13.5 t -35.44 -31.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' LYS . 1.7 t -75.97 -46.6 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 8.1 m170 -32.26 -60.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.9 tp -38.58 -48.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' SER . 17.7 mmtp -53.58 -45.33 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.35 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' ARG . 37.2 t60 -65.29 -65.61 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 92.1 m -34.02 -32.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' HIS . 38.1 mtt180 -47.48 -50.09 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 38' ' ' HIS . 11.6 t -50.78 -29.27 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 43' ' ' THR . 56.4 m-70 -80.39 102.93 9.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 42' ' ' HIS . 19.9 p -155.41 102.39 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.66 25.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -122.97 161.31 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -138.79 101.95 7.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -66.51 127.61 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.6 p -135.07 134.93 40.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 65' ' ' LEU . 38.2 t -66.08 161.89 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 23.1 m -125.35 102.24 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 46.5 t-105 -162.72 177.14 9.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -94.01 117.49 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.34 78.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 15.5 t -97.99 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 58.05 44.14 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -125.08 109.03 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -110.15 172.89 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -153.96 153.16 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.17 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -82.6 177.04 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 p -96.27 -53.48 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.41 -49.35 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.41 -49.72 17.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 50' ' ' CYS . 20.8 tp -61.28 -58.88 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -50.95 -35.75 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 71' ' ' THR . 37.8 ttt180 -72.44 -22.06 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 69' ' ' ARG . 5.4 t60 -92.01 -63.64 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 13.7 tpt85 -41.95 -31.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 71' ' ' THR . 11.6 ptp180 -69.45 -39.08 78.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.2 p -57.3 -50.75 71.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -89.53 -44.43 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -135.61 126.4 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.23 140.98 15.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -130.91 117.33 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -153.7 142.87 21.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.64 177.54 18.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 85.05 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.68 171.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.3 mp -107.16 150.78 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.48 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -73.49 137.22 44.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -81.55 161.73 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -142.19 141.8 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 16' ' ' ARG . 63.0 mt -97.3 142.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 28' ' ' THR . 42.6 mtt180 -145.85 115.94 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -97.74 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -54.07 107.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -92.19 140.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 42.6 t -68.2 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 t -43.04 -53.81 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -53.24 123.67 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.288 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.0 -30.84 9.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -78.03 -66.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.08 52.29 24.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 73.4 mttt -120.46 125.81 48.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 18' ' ' HIS . 5.1 m -115.95 156.85 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -145.22 147.39 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -75.31 -52.71 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 9.4 tptm -61.35 104.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 26.3 t -38.41 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.4 m -82.63 -46.0 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 6.0 m170 -35.67 -34.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.3 tp -61.78 -54.84 36.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 1.2 ptmm? -57.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -73.0 -12.11 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.644 ' O ' HG22 ' A' ' 41' ' ' THR . 46.6 t60 -102.58 -29.06 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -84.65 -39.13 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -49.41 -23.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.7 t -88.76 -29.14 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.16 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.8 p -62.05 -44.85 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.62 155.01 1.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -90.76 -47.37 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 1.2 mptp? -95.54 106.97 30.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 5.0 m-85 -82.46 128.62 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 p -141.69 133.41 27.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 156.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.7 p -89.86 -42.68 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -52.9 119.75 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' CYS . 26.2 ttmt -57.56 -67.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . -36.91 -31.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.527 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.6 t -71.47 -59.61 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.31 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 55.42 32.07 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -109.5 139.06 44.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.579 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 13.9 ptt-85 -132.71 170.93 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 2.5 m-85 -144.35 155.02 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -78.17 -35.21 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -94.44 151.37 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.5 p -70.79 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' SER . 3.3 m-20 -37.93 -66.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.23 -51.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.3 tm? -67.9 -68.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.631 ' N ' HD13 ' A' ' 65' ' ' LEU . 2.1 m -39.11 -34.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -77.41 -39.13 48.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 71' ' ' THR . 1.7 t60 -61.47 -52.0 66.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.1 mmm180 -38.16 -35.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' HIS . 32.6 mtm180 -49.18 -46.28 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.9 t -41.61 -23.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' ARG . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 p -133.41 134.46 43.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 59.09 42.2 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.78 56.24 4.39 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -81.24 109.74 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 m -132.12 131.22 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.74 150.86 6.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 92.33 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -94.35 -42.1 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.722 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.4 mp -52.34 -45.17 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.55 122.52 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' SER . 46.5 m -72.02 -54.45 9.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' SER . 28.2 m -34.19 -38.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' SER . 12.2 mmm180 -56.7 156.25 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 15' ' ' ILE . 33.0 mt 52.17 41.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 28' ' ' THR . 17.8 ptt180 -76.63 106.11 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -52.01 104.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 19' ' ' ILE . 2.1 mp -84.9 152.51 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -75.47 131.75 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -66.39 -50.66 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.539 ' CD2' ' HD2' ' A' ' 23' ' ' PRO . 1.8 t-80 -54.11 130.38 59.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.539 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.78 161.59 45.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 -48.59 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.4 t -41.57 -47.89 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 48.66 50.48 25.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -123.11 120.66 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ILE . 1.8 m -115.77 151.92 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.68 152.17 47.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -80.12 -49.02 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -59.25 101.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 9.3 p -41.6 -34.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' HIS . 26.8 t -75.77 -48.6 21.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 5.9 m170 -32.06 -58.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 18' ' ' HIS . 37.6 tp -37.79 -60.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -45.88 -44.18 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.73 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 41' ' ' THR . 27.7 t60 -55.87 -52.38 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -37.29 -39.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 43' ' ' THR . 65.5 mtm180 -52.58 -46.19 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.4 t -42.88 -23.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ARG . 74.6 m-70 -82.26 17.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 40' ' ' ARG . 1.9 p -53.33 -56.62 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.71 71.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.7 -64.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.378 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.44 106.1 50.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 62' ' ' SER . 97.8 m-85 -126.11 117.59 23.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 p -131.88 130.65 41.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.4 139.04 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -111.52 12.71 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 18.5 t-105 -70.96 136.21 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -61.01 132.9 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.19 -56.72 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.4 t -38.79 -68.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 64.7 37.05 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.52 172.56 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -164.25 166.75 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -154.17 145.76 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.03 88.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -87.8 166.0 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.6 t -84.61 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 7.4 p-10 -33.63 -45.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.81 -54.43 46.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -67.52 -56.67 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.828 ' N ' HD13 ' A' ' 65' ' ' LEU . 5.5 p -44.6 -48.2 10.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.0 -34.73 78.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -79.06 -19.59 50.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 tpt85 -88.22 -34.57 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -73.4 -32.92 64.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 68' ' ' HIS . 7.7 t -63.98 -22.59 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.054 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.4 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 14.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 65.33 42.54 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.77 -155.56 7.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -153.86 148.39 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m -153.21 162.34 41.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.22 116.42 3.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.15 2.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.656 2.238 . . . . 0.0 112.393 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -60.97 160.23 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -22.97 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -148.94 171.05 16.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 m -131.93 123.02 26.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -120.24 125.5 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -61.88 153.86 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -109.89 148.61 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.095 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.594 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.6 ptp180 -52.67 112.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -97.92 -71.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' THR . 43.1 m-70 -52.28 105.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 28' ' ' THR . 2.9 mm -88.14 114.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.08 110.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 -46.64 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.07 113.69 4.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.02 -31.15 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -49.82 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.13 70.23 0.95 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -133.34 138.02 46.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.007 HG23 ' O ' ' A' ' 18' ' ' HIS . 15.4 m -140.27 141.58 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 38' ' ' HIS . 90.1 m-85 -122.13 143.86 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -66.43 -53.04 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 52.6 mmtt -60.01 102.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 24.7 p -38.85 -25.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' LYS . 87.6 p -84.41 -49.08 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 3.4 m170 -32.85 -59.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 18' ' ' HIS . 10.0 tp -33.48 -58.18 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -42.97 -43.95 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.2 -36.76 83.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 28.4 t60 -70.51 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -40.8 -31.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -61.15 -43.7 98.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -47.78 -33.36 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -70.14 -58.44 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 t -77.14 147.23 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.97 166.85 13.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 47' ' ' PRO . 19.5 mt-10 -93.51 -53.27 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 58.1 mttp 61.89 47.97 1.19 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.75 -12.91 33.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.624 2.216 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -106.86 167.79 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -162.59 165.38 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 16.2 t -66.39 165.49 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -89.66 -46.83 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -55.71 124.66 18.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -56.73 -62.05 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.2 -43.36 5.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.9 119.94 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.04 10.72 40.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -74.55 116.48 15.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -108.12 169.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CZ ' ' CG ' ' A' ' 68' ' ' HIS . 34.8 m-85 -148.79 162.88 38.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.77 -46.75 5.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -92.23 131.36 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 t -48.35 -50.27 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.98 -58.46 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -46.51 -46.93 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 10.4 tp -63.97 -49.69 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -54.52 -41.9 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -66.86 -57.02 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.789 ' O ' HG22 ' A' ' 71' ' ' THR . 17.5 t60 -44.75 -53.1 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . 8.7 mtm105 -34.48 -40.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -43.96 -52.33 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' HIS . 12.3 t -40.74 -33.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -166.08 162.48 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -161.68 160.89 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.98 117.82 0.52 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -149.58 138.56 21.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -131.58 146.2 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.98 -162.77 11.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 143.0 49.29 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.06 -20.94 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 pt -89.43 12.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -43.73 -49.45 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -81.53 -46.51 14.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -44.77 -58.13 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -55.21 150.71 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' C ' ' HG3' ' A' ' 16' ' ' ARG . 26.8 mt -116.67 139.55 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HB3' HG22 ' A' ' 28' ' ' THR . 36.4 mtm180 -152.26 103.1 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -97.94 -68.59 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.59 ' HD1' HD12 ' A' ' 35' ' ' LEU . 11.5 m-70 -52.43 103.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 28' ' ' THR . 4.3 mm -84.77 139.77 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.01 123.35 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.81 116.49 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 -46.89 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.597 2.198 . . . . 0.0 112.323 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.55 62.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.524 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.5 t -66.97 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.51 61.22 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 2.0 tppt? -129.97 124.04 32.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.603 ' CG2' HD13 ' A' ' 19' ' ' ILE . 11.6 m -130.4 151.94 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.18 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 27' ' ' LYS . 75.8 m-85 -147.49 127.79 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.5 t80 -46.39 -50.35 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 11.2 mmmt -59.67 102.39 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.3 m -42.19 -48.75 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' HIS . 45.2 p -61.04 -55.14 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 7.1 m170 -35.04 -63.52 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.66 -67.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 35' ' ' LEU . 8.0 mtmp? -37.86 -44.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -60.59 -51.62 68.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' THR . 12.7 t60 -48.95 -52.15 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 97.7 m -34.44 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HA ' HG22 ' A' ' 43' ' ' THR . 59.9 mtt180 -48.49 -50.07 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 38' ' ' HIS . 14.2 t -47.49 -22.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -92.28 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.545 HG22 ' HA ' ' A' ' 40' ' ' ARG . 14.5 t -71.92 155.56 40.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.72 177.74 27.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.42 132.35 33.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -98.41 137.46 20.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.658 0.742 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -2.66 10.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 74.0 m-85 -139.04 117.51 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -123.45 126.31 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -44.05 -51.6 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 m 61.47 46.02 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.492 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 15.4 t-105 -84.72 178.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -63.15 -29.29 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.05 32.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 49.8 t -94.64 -58.94 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 58.08 41.16 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -116.63 114.95 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -111.61 158.04 19.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 22.2 m-85 -130.79 147.33 52.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.39 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -99.8 134.01 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.536 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 67.8 p -48.56 -57.5 6.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -38.14 -53.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 18.7 mm-40 -45.05 -49.6 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 48' ' ' PHE . 13.0 tp -64.32 -55.86 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -44.59 -42.11 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -73.05 -52.52 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 71' ' ' THR . 16.2 t60 -47.62 -39.37 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -39.53 -27.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' HIS . 22.2 ptt180 -53.58 -46.35 70.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -45.51 -22.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.434 ' CD2' HG23 ' A' ' 71' ' ' THR . 62.7 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -148.23 141.39 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -155.68 158.33 38.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.47 110.82 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -147.4 103.57 3.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.866 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -144.29 154.4 43.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.05 81.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.33 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.294 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.38 156.05 25.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.6 -59.38 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.28 173.64 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -79.43 143.21 35.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.5 p -163.15 163.41 25.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.062 HD12 ' CD1' ' A' ' 30' ' ' PHE . 78.7 mt -65.76 -25.81 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' O ' HG21 ' A' ' 28' ' ' THR . 8.6 ptm180 48.74 48.02 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -82.29 -68.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 4.7 m-70 -58.64 102.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.829 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.6 mm -88.1 128.61 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -54.19 -24.39 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 t 56.41 32.11 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLY . 9.2 t60 -123.55 137.64 28.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.6 Cg_endo -69.75 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -28.39 71.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -97.9 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 59.85 31.43 71.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.506 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.68 177.77 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.829 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.9 m -156.52 149.65 24.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.405 ' HH ' ' HD1' ' A' ' 38' ' ' HIS . 96.2 m-85 -138.65 155.31 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 1.062 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -87.54 -51.11 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 11.3 mtmt -59.36 102.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 t -40.11 -36.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' HIS . 70.0 m -69.28 -53.14 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' SER . 3.1 m170 -32.04 -64.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.3 tp -32.27 -54.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -52.65 -50.5 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.37 -29.39 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' THR . 38.9 t60 -83.66 -21.95 32.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' LEU . 90.2 m -88.52 -38.13 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' THR . 6.1 ptp180 -64.32 -31.64 72.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 13.0 t -72.1 -37.97 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -43.41 -60.09 1.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 43' ' ' THR . 9.0 t -61.94 114.14 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.53 -165.22 38.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -79.15 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -92.24 134.53 28.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -38.08 8.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.276 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.743 ' HB3' HD22 ' A' ' 65' ' ' LEU . 92.9 m-85 -93.94 144.36 25.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 34.5 p -152.3 125.81 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.97 140.76 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.2 p -105.48 16.9 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 47.8 t-105 -77.21 127.29 32.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.88 129.99 31.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.61 -47.82 3.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 37.6 t -42.16 -62.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 55' ' ' CYS . 4.0 pt-20 50.99 33.19 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -99.73 120.68 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 70.3 mtt180 -108.86 150.53 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 3.3 m-85 -137.26 154.11 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.15 -46.72 9.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -68.43 149.09 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 12.7 t -84.88 -41.48 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.93 -47.39 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -49.44 -49.01 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.7 tp -62.72 -48.89 77.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -40.42 -50.8 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -70.9 -48.15 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -45.39 -29.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 70' ' ' ARG . 28.1 mmm-85 -96.0 -43.45 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' ARG . 6.0 mtm180 -33.34 -60.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.1 t -85.68 -29.28 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 1.7 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -82.14 13.15 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -63.81 177.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.56 -162.49 9.14 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -153.83 177.74 10.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -112.33 159.46 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.95 167.24 43.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 175.16 8.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -130.7 164.7 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.2 pt -91.28 141.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -91.72 135.32 33.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -102.62 17.96 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 m -81.36 15.21 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.785 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -86.18 18.0 3.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.8 mt -79.97 102.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.1 ptp180 -68.63 112.07 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.97 -67.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 10.4 m-70 -51.92 108.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -90.55 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -57.82 108.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -45.32 -44.6 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -52.87 116.73 9.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.93 58.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.381 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -43.31 2.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.37 -59.23 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 52.48 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.551 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 16' ' ' ARG . 7.2 m -158.65 149.91 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -141.18 143.71 34.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.6 t80 -63.78 -59.78 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 14.9 mtpp -55.59 102.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 12.3 p -38.65 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' HIS . 68.6 m -77.92 -47.75 17.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.3 m170 -32.8 -51.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' HIS . 43.4 tp -37.31 -56.44 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -50.28 -51.49 44.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.29 -19.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.574 ' O ' HG22 ' A' ' 41' ' ' THR . 61.6 t60 -93.23 -46.59 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 m -46.18 -27.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -48.68 -32.28 8.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.4 t -80.66 17.02 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' HG22 ' A' ' 43' ' ' THR . 93.6 m-70 -136.83 178.03 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 43' ' ' THR . 4.1 t 44.12 32.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.85 165.38 33.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -136.17 146.32 46.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 6.0 mptt -116.45 116.17 39.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.283 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 97.0 m-85 -71.49 120.34 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.5 p -128.18 145.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.39 142.24 57.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -95.2 17.06 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 57.1 t-105 -93.53 120.07 33.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.87 123.65 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.15 -45.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.1 t -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 54.49 41.48 31.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -117.76 128.77 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 87.9 mtm-85 -120.51 176.96 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ARG . 68.4 m-85 -157.82 146.63 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.31 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -94.27 142.81 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 t -64.31 -50.27 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -42.67 -44.56 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.5 -48.88 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.4 tp -52.74 -61.1 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.5 t -52.42 -53.31 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -58.94 -15.09 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 71' ' ' THR . 2.0 t60 -98.16 -28.97 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' HIS . 21.3 mmm-85 -82.15 -35.66 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -41.36 -42.16 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 68' ' ' HIS . 8.8 t -69.5 -35.0 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.635 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -141.88 175.08 10.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.795 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -141.16 169.46 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.18 127.83 6.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -82.96 17.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -64.95 167.78 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.63 110.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.08 19.76 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' ASP . 10.7 tt0 -85.69 -35.18 21.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.747 ' O ' HG23 ' A' ' 10' ' ' ILE . 1.7 tp 32.78 34.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLN . 37.9 t70 -95.51 139.94 31.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -144.17 158.52 43.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -106.63 138.38 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 14' ' ' ARG . 10.9 ttp-105 -102.95 -6.98 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 30' ' ' PHE . 46.7 mt -61.23 136.19 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.2 ptp180 -152.17 106.83 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.89 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.4 m170 -52.02 105.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -88.16 105.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.0 t -33.04 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' ILE . 50.5 m 52.79 34.89 17.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 49.5 t60 -105.56 140.02 20.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.79 111.6 2.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.57 2.18 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.92 -38.2 3.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -80.55 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.46 54.8 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 12.3 tptm -114.35 157.63 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 HG23 ' C ' ' A' ' 18' ' ' HIS . 17.3 m -144.53 151.94 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' C ' ' HA ' ' A' ' 16' ' ' ARG . 96.3 m-85 -145.16 151.38 38.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' HG22 ' A' ' 15' ' ' ILE . 16.9 t80 -71.91 -58.55 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 20.1 mmmt -57.06 102.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 77.8 p -42.53 -33.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' HIS . 66.4 m -70.54 -51.71 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 4.9 m170 -32.38 -59.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 34' ' ' HIS . 22.9 tp -33.07 -60.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -46.91 -48.1 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -64.47 -42.95 95.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.544 ' O ' HG22 ' A' ' 41' ' ' THR . 16.2 t60 -59.9 -52.39 65.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' HIS . 90.6 m -32.36 -35.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' HIS . 58.3 mtp180 -45.15 -51.06 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 38' ' ' HIS . 10.1 t -37.55 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.533 ' CE1' HG23 ' A' ' 41' ' ' THR . 18.9 m-70 -97.67 -49.22 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.2 p -98.48 115.34 28.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.8 -64.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -60.81 142.79 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 9.6 mptt -64.83 131.52 95.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.88 27.2 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -131.63 119.18 21.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -124.61 170.36 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.7 t -75.63 149.77 38.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -91.74 -21.96 20.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.754 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 24.9 t-105 -56.24 149.49 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.77 111.25 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.15 34.04 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 10.6 t -109.4 -28.78 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 55' ' ' CYS . 16.8 pt-20 39.34 35.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -116.38 110.89 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -108.96 167.09 10.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -148.49 106.93 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 46' ' ' LYS . . . -44.35 -44.64 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' NE ' ' HB3' ' A' ' 63' ' ' ASP . 25.3 ttp180 -83.72 122.77 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -49.02 -43.34 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 42.6 t0 -59.51 -52.65 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -44.36 -42.96 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 50' ' ' CYS . 35.3 tp -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -52.87 -48.35 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.57 -42.49 92.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.827 ' O ' HG22 ' A' ' 71' ' ' THR . 19.8 t60 -64.97 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' HIS . 15.7 mmm-85 -32.81 -37.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' HIS . 42.4 mtt180 -36.9 -48.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 68' ' ' HIS . 3.1 t -53.14 -41.47 65.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.754 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -147.6 153.94 40.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -136.17 150.55 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.31 105.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -88.16 117.26 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -90.07 146.84 24.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.79 169.29 35.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 159.33 53.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.77 -43.28 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 10' ' ' ILE . 37.3 mm 55.16 47.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.96 -48.78 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 p -55.79 168.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 m -74.99 154.71 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 -127.83 129.12 46.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 15' ' ' ILE . 15.6 mt -114.76 15.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 28' ' ' THR . 16.2 ptp180 -52.41 109.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.98 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' THR . 8.0 m170 -54.73 112.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -98.63 109.73 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -45.88 -34.65 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m 52.22 35.65 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 34.7 t-80 -96.49 139.95 21.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.81 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -46.17 1.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.42 -63.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.06 69.19 1.35 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 21.3 tptt -121.36 134.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.2 m -131.7 143.7 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 34' ' ' HIS . 88.1 m-85 -130.1 156.73 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 6.6 p90 -105.67 -3.55 22.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' SER . 33.7 mmtt -100.06 7.32 44.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . 95.9 p 34.4 31.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LYS . 68.4 m -117.98 -38.1 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 29' ' ' TYR . 2.3 m-70 -60.62 -59.64 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' HIS . 35.1 tp -32.33 -43.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.8 -53.54 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -85.08 9.49 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' HIS . 15.0 t60 -116.99 -21.58 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 92.1 m -83.64 -33.04 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 43' ' ' THR . 63.6 mtm180 -48.81 -48.93 41.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.4 t -61.95 -39.55 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' THR . 2.9 m-70 -53.95 -52.11 61.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 40' ' ' ARG . 11.5 t -69.78 146.52 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.081 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.09 77.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -81.63 -47.21 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -66.55 111.96 8.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -26.73 27.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.401 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 27.4 m-85 -95.7 18.0 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.2 p -52.03 122.6 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.89 163.27 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -149.8 108.54 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 25.9 t-105 -144.7 172.91 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.07 -42.35 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.6 51.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 44.8 t -121.53 123.12 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -112.2 13.23 20.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.42 131.59 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -138.12 133.29 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.68 156.46 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 -40.56 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.72 169.23 17.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 84.0 p -89.0 -47.56 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.21 -53.19 22.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -47.41 -59.32 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -53.94 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -43.71 -41.27 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.1 -41.72 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 9.1 t60 -67.82 -45.56 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ARG . 11.5 mmm180 -36.43 -43.41 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.2 ptm180 -33.88 -44.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 p -47.76 -51.24 23.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -149.38 156.74 42.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -128.34 160.29 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.6 132.38 7.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -144.08 161.22 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.926 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -76.58 148.02 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.42 142.1 15.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 110.7 2.62 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -93.28 128.98 39.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.54 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -83.02 -59.01 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -139.95 132.24 28.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.4 p -99.09 132.59 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -146.12 138.98 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.8 mp -79.59 146.21 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HD3' ' C ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -147.7 139.1 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.506 ' H ' ' N ' ' A' ' 30' ' ' PHE . 67.6 m -147.17 173.13 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.707 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.9 m-70 66.47 48.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.722 HG13 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -55.87 112.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.7 t -33.49 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.4 t 53.98 32.11 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 7.4 t60 -101.09 141.18 22.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.8 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.75 -48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -63.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.35 99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.31 160.56 37.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG13 ' A' ' 19' ' ' ILE . 1.7 m -134.39 163.03 30.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 17' ' ' SER . 84.4 m-85 -157.9 102.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.506 ' N ' ' H ' ' A' ' 17' ' ' SER . 3.6 p90 -37.33 -46.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 1.6 tppt? -69.39 128.03 35.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 33.5 p -62.18 -42.13 98.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -64.72 -46.02 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 m170 -37.68 -53.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 18' ' ' HIS . 53.8 tp -48.04 -51.16 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.91 -39.2 62.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.24 53.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 6.1 t60 -64.56 -62.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 52.6 m -35.84 -41.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 43' ' ' THR . 15.9 mtp180 -52.36 -46.62 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.4 p -38.02 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -74.92 -61.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 40' ' ' ARG . 9.0 t -64.43 139.98 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.42 -159.58 27.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.411 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.0 155.63 39.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.389 . . . . 0.0 110.917 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -106.15 112.2 64.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -50.42 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 86.6 m-85 -78.03 120.65 23.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 58' ' ' ARG . 75.9 p -133.88 136.32 44.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -50.45 -66.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 t 58.79 47.86 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LYS . 55.1 t-105 -83.97 173.89 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' TRP . 20.4 tptm -33.94 -47.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.64 39.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.03 135.52 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -115.83 13.16 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -75.3 149.31 38.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 11.7 ptp85 -150.2 176.86 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 8.1 m-85 -154.79 158.93 40.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.15 -51.27 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.75 139.09 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.1 t -61.0 -46.35 91.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.66 -51.56 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.43 -52.61 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 48' ' ' PHE . 20.1 tp -49.85 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t -38.16 -47.78 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -59.13 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 5.5 t60 -40.4 -53.35 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -37.25 -45.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' ARG . 60.7 mtt180 -35.22 -50.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.1 p -40.23 -52.39 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -145.81 152.97 40.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -139.67 125.35 19.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.87 -158.99 28.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -127.38 152.97 46.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -86.65 -59.81 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.31 128.02 1.06 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.08 46.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -93.38 132.13 37.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.11 108.98 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -87.28 173.38 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 t -142.49 151.4 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -149.68 170.49 18.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' HB3' ' CG ' ' A' ' 30' ' ' PHE . 21.5 mmt180 -116.44 156.36 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.4 105.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 16.1 ptt-85 -66.16 104.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.84 -70.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.582 ' CG ' ' HA ' ' A' ' 32' ' ' SER . 23.6 m80 -53.71 109.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.1 mp -93.4 153.1 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' SER . 44.6 t -65.72 102.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 33.7 t -36.78 -38.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -58.83 128.92 84.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 148.31 65.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.736 2.29 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.97 -40.82 3.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.01 -69.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.37 -22.53 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -52.05 106.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 19' ' ' ILE . 7.4 m -102.27 155.41 18.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.57 133.47 34.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CG ' ' HB3' ' A' ' 14' ' ' ARG . 2.7 p90 -60.19 -42.04 94.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.6 106.29 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.582 ' HA ' ' CG ' ' A' ' 18' ' ' HIS . 8.0 t -42.11 -57.95 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -53.89 -58.42 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' SER . 11.2 m170 -32.56 -65.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.033 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -37.42 -62.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 1.033 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.1 mtpm? -48.0 -47.09 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.22 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.557 ' HA ' HG23 ' A' ' 41' ' ' THR . 23.6 t60 -88.96 -43.3 11.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -43.33 -33.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.87 -36.0 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 38' ' ' HIS . 44.4 p -39.19 -36.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -76.36 -56.27 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 t -80.08 122.06 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.43 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.96 -56.76 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -87.97 108.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -28.23 25.87 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.67 157.15 16.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.9 p -160.85 155.1 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.88 123.44 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -87.77 6.8 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -61.29 158.09 15.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 125.29 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.15 -37.95 3.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.416 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 t -40.43 -68.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.13 41.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -134.53 110.75 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -100.67 178.5 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.37 169.89 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.64 -50.02 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -82.51 155.81 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.33 -40.98 22.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.84 -56.56 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -48.99 -42.0 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.61 -41.38 79.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -55.62 -39.8 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -83.8 -26.58 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 2.0 t60 -84.57 -10.36 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -94.11 -48.39 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -63.92 -27.28 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -66.89 -36.1 81.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -144.7 118.69 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -151.15 173.03 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.77 116.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -149.15 142.65 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -152.02 162.64 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.3 113.34 1.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.48 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.305 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -61.85 129.99 43.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 pt -112.49 158.87 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.46 153.45 42.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -45.63 -56.63 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.4 p -99.27 124.49 44.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' C ' HG13 ' A' ' 15' ' ' ILE . 24.2 ptt180 -82.42 15.33 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 30' ' ' PHE . 36.7 mt -143.45 121.82 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.3 ptt85 -150.61 108.29 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -98.03 -65.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' THR . 9.7 m170 -51.88 105.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.668 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -86.17 137.69 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 35' ' ' LEU . 8.7 t -65.47 110.91 2.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 40.7 t -34.47 -50.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.69 119.8 50.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.06 -36.02 34.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.88 -58.36 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.15 51.67 26.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.27 138.78 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' HIS . 14.7 m -138.36 150.06 46.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -140.58 142.31 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HB2' HG22 ' A' ' 15' ' ' ILE . 9.3 t80 -63.84 -57.45 9.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 24.0 mmtm -52.89 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 58.7 m -41.43 -29.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 34' ' ' HIS . 9.9 t -77.33 -48.93 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 5.0 m170 -32.65 -57.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 20' ' ' CYS . 16.3 tp -40.32 -54.78 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -48.65 -42.06 33.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.79 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -72.26 -23.82 61.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -86.04 -29.62 23.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -45.68 -50.12 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 42' ' ' HIS . 9.3 t -62.36 -46.22 89.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.519 ' N ' HG23 ' A' ' 41' ' ' THR . 23.1 m-70 -46.11 -50.16 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p -81.83 -61.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.48 -139.53 10.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 15.9 mt-10 -88.08 -65.3 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CE ' ' HB2' ' A' ' 58' ' ' ARG . 8.9 pttt -50.96 105.71 0.56 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.76 -27.82 25.98 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.387 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 69.4 m-85 -82.43 18.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 25.2 p -57.91 127.44 32.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 27.4 t -52.22 150.79 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 t -111.07 17.12 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 1.1 t-105 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -98.0 -69.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.55 41.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 52' ' ' TRP . 1.4 t -55.26 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 58.42 46.09 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 14.8 mmt180 -117.98 111.08 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -93.31 161.42 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' C ' ' HB2' ' A' ' 46' ' ' LYS . 4.7 m-85 -152.68 127.69 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . . . -73.63 -28.2 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p -83.5 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -39.81 -48.35 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -43.28 -55.16 4.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD11 ' HE ' ' A' ' 69' ' ' ARG . 34.8 tp -61.6 -47.64 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -50.19 -53.52 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 71' ' ' THR . 6.3 tpp180 -75.62 -27.75 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CD2' ' CE2' ' A' ' 59' ' ' PHE . 42.1 t60 -76.68 -20.15 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HE ' HD11 ' A' ' 65' ' ' LEU . 15.4 mmt180 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 1.9 ptm85 -48.31 -20.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 67' ' ' ARG . 73.1 p -81.85 -36.39 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -85.66 17.79 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -81.34 176.41 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.67 155.84 21.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -122.11 130.43 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.413 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 169.32 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.18 -153.45 6.52 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 120.13 6.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.779 2.319 . . . . 0.0 112.305 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.11 -42.09 93.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -138.96 152.77 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -85.77 167.81 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -139.51 125.14 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.3 p -167.91 161.99 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 15' ' ' ILE . 13.8 mt 60.86 48.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB3' HG22 ' A' ' 28' ' ' THR . 56.2 mtm180 -74.39 108.36 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.658 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 4.7 m80 -53.4 103.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 28' ' ' THR . 13.4 mm -86.77 135.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.5 t -57.96 135.67 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -74.71 -44.9 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -54.66 127.2 59.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 156.86 62.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.33 -43.14 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.88 -43.69 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.29 56.12 8.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -121.68 158.39 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.729 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.6 m -154.11 151.07 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -141.41 120.67 13.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.75 -50.62 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 1.5 mptp? -57.47 124.83 20.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.658 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 8.5 t -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' HIS . 18.5 t -69.99 -45.65 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 2.3 m170 -32.69 -61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.3 tp -39.43 -60.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -44.7 -42.28 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.2 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' THR . 49.0 t60 -66.01 -58.88 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -41.28 -34.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -62.25 -40.69 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 43' ' ' THR . 53.5 p -53.65 -40.83 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -47.84 -47.76 31.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 41' ' ' THR . 20.5 p 55.17 38.27 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.8 -102.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -117.95 166.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 61.98 46.98 0.99 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.605 0.717 . . . . 0.0 110.832 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.5 Cg_endo -69.84 2.93 3.12 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 152.78 48.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 53.2 p -159.15 158.43 32.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.25 115.4 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -85.5 111.01 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -168.72 177.94 4.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -99.16 115.35 28.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.29 -42.41 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.512 ' C ' ' HG3' ' A' ' 56' ' ' GLU . 6.4 t -59.09 -61.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HG3' ' C ' ' A' ' 55' ' ' CYS . 2.1 pp20? 36.68 40.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 13.0 mmt180 -105.8 121.12 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 20.8 mtp180 -106.66 169.15 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -150.46 164.74 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.39 -48.22 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -96.11 136.87 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t -56.48 -50.18 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -38.27 -52.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -53.45 -55.12 27.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.85 -56.37 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -39.73 -52.44 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' CD ' ' HD3' ' A' ' 70' ' ' ARG . 5.7 tmm_? -65.33 -59.87 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.0 t60 -41.28 -50.2 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' HIS . 22.4 mmt180 -36.28 -43.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HD3' ' CD ' ' A' ' 67' ' ' ARG . 8.5 ptm180 -35.27 -47.49 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.5 p -39.77 -47.08 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -155.9 131.74 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -167.75 154.27 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 172.7 35.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -162.93 157.58 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -109.38 177.91 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.23 -162.56 9.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.427 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.86 2.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -125.45 147.37 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.3 177.22 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.65 177.06 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -77.65 102.02 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -97.66 -49.96 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.59 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 8.3 mpt_? -59.41 178.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.96 108.13 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.2 ptt180 -72.88 108.26 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -68.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 28' ' ' THR . 12.4 m-70 -51.96 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.609 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.1 mm -86.58 148.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.4 t -69.49 114.13 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' CYS . 15.7 t -35.56 -58.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.31 118.64 32.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.536 0.684 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.41 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.374 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.04 9.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.73 -67.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.59 78.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -150.99 158.74 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' HIS . 6.6 m -155.58 151.97 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.29 125.86 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 14' ' ' ARG . 5.2 p90 -45.22 -47.66 12.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 18.0 mmtp -62.64 113.83 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.593 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 30.3 p -50.2 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' HIS . 63.8 p -47.42 -55.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 m170 -33.73 -68.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -34.91 -68.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 1.014 ' N ' HD13 ' A' ' 35' ' ' LEU . 3.4 mtpm? -37.43 -40.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -68.56 -45.45 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.605 ' O ' HG22 ' A' ' 41' ' ' THR . 2.1 t60 -58.2 -15.24 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -88.25 -36.05 16.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -73.2 -13.04 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 5.3 t -88.21 -14.86 37.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -66.88 -45.64 77.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -51.75 -43.1 62.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 163.56 2.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -109.11 144.14 37.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CB ' ' HD3' ' A' ' 58' ' ' ARG . 45.6 mmtt -136.43 102.33 9.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.62 7.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.7 m-85 -87.54 129.02 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . 29.7 p -145.91 116.86 7.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ARG . 5.6 t -52.11 151.56 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -119.72 107.39 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -162.28 173.67 13.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -96.04 109.86 22.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.62 -48.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.6 t -50.13 -68.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.31 45.62 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 50' ' ' CYS . 6.1 mmp_? -109.55 149.68 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.643 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -144.71 174.06 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 3.4 m-85 -151.29 177.99 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HD3' ' A' ' 46' ' ' LYS . . . -96.85 -39.02 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -94.75 145.61 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -71.91 -20.84 61.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.36 -45.32 19.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -64.78 -39.01 92.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 65' ' ' LEU . 3.3 t -43.14 -48.59 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 71' ' ' THR . 55.8 ttp85 -56.07 -36.5 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.584 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -73.7 -19.0 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -80.38 -49.65 11.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -58.6 -31.27 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 67' ' ' ARG . 34.1 p -61.88 -47.76 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' THR . 15.6 m-70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -160.49 159.22 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -119.89 171.86 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.03 -152.45 12.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -153.74 164.67 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -100.6 175.29 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.22 -147.94 4.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 147.35 62.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.755 2.303 . . . . 0.0 112.282 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -150.99 116.66 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mp -111.71 137.23 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.9 160.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -95.44 -46.23 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -68.13 140.59 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.99 160.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.9 mp -59.38 138.37 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB2' HG21 ' A' ' 28' ' ' THR . 10.0 ptm180 -146.62 104.41 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -97.93 -75.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -73.63 101.97 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.41 112.75 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.15 -34.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 55.35 33.87 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 48.3 t-80 -107.68 141.27 22.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.2 Cg_endo -69.7 116.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.82 -46.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -60.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.42 60.11 7.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -124.43 161.62 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 16' ' ' ARG . 63.4 m -148.93 159.01 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.507 ' N ' HG22 ' A' ' 28' ' ' THR . 95.1 m-85 -151.05 105.42 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -32.13 -56.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 3.1 ttmm -60.27 151.73 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 78.1 p -80.14 -42.93 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.8 p -65.91 -40.19 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.434 ' CE1' ' HD2' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -40.01 -68.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 18' ' ' HIS . 30.9 tp -39.62 -47.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -54.48 -40.1 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -70.74 -39.75 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 41' ' ' THR . 7.4 t60 -66.25 -46.36 77.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.6 m -34.66 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' HIS . 76.1 mtp180 -47.41 -52.12 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.0 t -44.27 -24.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -94.42 -44.48 7.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.8 m -68.76 128.13 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.45 -44.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -68.91 147.53 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 60.15 45.4 1.06 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.8 Cg_endo -69.75 -24.78 29.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.6 m-85 -94.67 151.4 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.0 p -157.35 134.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.37 158.92 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -140.68 108.54 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 9.8 t-105 -146.04 172.24 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -41.89 -63.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.51 39.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 2.6 t -74.03 -68.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.727 0.299 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 57.15 45.1 21.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -133.5 110.11 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 3.9 ptp180 -103.67 170.79 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -148.61 162.54 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.25 -44.99 9.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -84.0 155.2 22.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 47.8 p -80.12 -42.53 23.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -52.84 -57.88 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -43.88 -49.21 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.46 -45.33 80.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.5 m -50.15 -35.4 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -89.72 -37.64 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -72.25 -16.01 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.7 -46.44 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.43 -23.29 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.2 t -75.11 -35.25 61.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.86 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 58.05 41.61 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -90.12 142.89 27.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.75 174.92 39.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -161.04 166.13 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -163.98 166.51 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 103.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 177.76 5.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.98 162.01 15.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 pt -133.91 166.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -123.79 165.74 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 p -110.28 167.68 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -120.7 151.4 39.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' HD2' ' CE2' ' A' ' 30' ' ' PHE . 17.2 mmt85 -140.1 116.86 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.79 112.17 36.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -71.94 105.88 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.96 -69.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 11.6 m-70 -52.32 106.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -88.1 154.51 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 t -70.62 130.62 42.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -66.19 -41.15 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -55.09 119.23 21.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.672 0.748 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 156.79 62.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.7 -43.21 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.94 -66.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.55 73.31 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 159.04 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' HB2' ' A' ' 16' ' ' ARG . 3.5 m -160.95 152.01 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -150.55 127.84 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 31' ' ' LYS . 1.6 p90 -50.25 -34.06 21.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.5 mmtp -68.54 102.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 16.9 p -44.18 -45.86 8.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' HIS . 31.1 p -67.6 -54.4 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' LEU . 8.2 m170 -35.12 -65.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -33.15 -68.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 1.003 ' N ' HD13 ' A' ' 35' ' ' LEU . 54.8 mttm -36.29 -46.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' THR . . . -61.73 -57.18 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.053 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.54 ' O ' HG22 ' A' ' 41' ' ' THR . 19.4 t60 -44.67 -21.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 30.4 m -91.21 -41.73 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.23 -10.09 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.9 t -95.31 -26.78 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' THR . 7.0 m-70 -57.94 -37.18 73.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 75.0 p -36.79 -41.34 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.36 116.8 2.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.45 168.65 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mttm -101.93 106.15 45.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.78 -48.55 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 62' ' ' SER . 69.2 m-85 -65.96 132.75 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -136.03 156.05 49.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.7 159.29 33.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -39.7 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -52.38 134.13 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 55' ' ' CYS . . . -51.1 -48.51 46.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t -35.16 -67.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 58.25 44.03 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -123.73 111.14 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.588 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 65.8 mtt85 -98.81 177.52 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.2 m-85 -156.19 142.54 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.423 ' CB ' ' HE ' ' A' ' 61' ' ' ARG . . . -69.06 -42.66 75.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HE ' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -88.6 153.02 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 m -77.98 -40.08 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.64 -48.53 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -48.12 -48.19 34.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.11 -62.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 t -43.15 -50.3 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -61.51 -37.76 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.57 -57.16 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' THR . 17.6 mtm180 -41.78 -45.03 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' ARG . 85.0 mtt-85 -33.68 -35.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ARG . 72.6 p -56.89 -51.98 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.7 p-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -167.61 171.9 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -164.42 174.68 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.58 -176.22 28.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 p -154.12 170.91 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.761 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -152.29 174.52 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.3 128.2 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 154.28 68.14 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.402 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.48 161.45 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -125.26 156.14 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.71 140.78 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -65.46 -48.84 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.1 m -131.44 108.91 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.452 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 8.3 ttp-105 -131.87 172.02 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.86 133.87 63.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.71 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -148.62 117.7 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -98.0 -69.26 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.772 ' O ' HG23 ' A' ' 28' ' ' THR . 9.9 m170 -52.33 110.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -93.32 144.31 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 2.2 t -62.51 133.68 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 t -72.81 -43.82 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -56.76 126.74 72.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.713 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.55 69.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 -40.22 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.36 -58.94 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.86 53.32 27.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 3.7 tppt? -125.26 124.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' HIS . 34.3 m -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -129.73 148.74 51.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -74.09 -51.18 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB2' ' ND1' ' A' ' 34' ' ' HIS . 26.9 mmtm -62.07 102.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 69.7 p -37.82 -32.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -73.53 -50.04 23.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.7 m170 -32.22 -57.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 18' ' ' HIS . 32.9 tp -40.64 -46.75 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' SER . 37.5 ttpt -54.55 -40.71 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.49 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' THR . 25.5 t60 -66.42 -46.73 75.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -43.8 -34.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -45.54 -50.73 12.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 38' ' ' HIS . 8.9 t -39.89 -29.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.753 ' O ' HG22 ' A' ' 43' ' ' THR . 27.1 m-70 -107.4 120.41 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 42' ' ' HIS . 2.7 t 49.98 32.03 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.72 -38.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -108.07 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -116.45 116.72 38.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 69.3 m-85 -76.41 148.39 37.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 49.4 p -153.31 147.11 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -112.88 107.91 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -98.16 102.01 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 52.3 t-105 -117.95 17.81 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 52' ' ' TRP . 31.7 mtmm 64.88 39.06 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.18 -34.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.56 -69.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 60.66 43.05 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -104.63 108.33 19.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 49' ' ' SER . 3.4 ptp180 -103.35 156.88 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -143.02 148.88 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -54.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -71.2 162.91 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 93.5 p -88.22 -37.57 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -62.2 -50.27 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -45.19 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 48' ' ' PHE . 57.7 tp -63.87 -49.73 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -57.31 -41.43 79.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -75.16 -25.2 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' THR . 2.8 t60 -86.94 -20.74 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -92.85 -43.52 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -44.64 -29.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 72' ' ' HIS . 9.6 t -77.36 -41.89 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 71' ' ' THR . 11.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' A' ' 28' ' ' THR . 23.2 ptt180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.86 -67.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.3 m-70 -52.02 108.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -91.21 143.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -69.55 122.53 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.0 m -60.69 -44.05 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -53.18 129.66 50.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.94 55.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . . . 76.23 -51.44 2.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.43 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.2 t -37.99 -60.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.52 50.78 63.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.23 121.86 32.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 18' ' ' HIS . 10.9 m -118.67 154.24 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.8 153.19 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -78.8 -53.53 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 27.5 mmtt -60.94 101.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 68.0 p -40.51 -27.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' HIS . 1.4 t -77.64 -48.61 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' SER . 8.5 m170 -33.2 -57.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -38.54 -58.39 1.04 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -48.32 -43.67 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.95 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.941 ' O ' HG22 ' A' ' 41' ' ' THR . 55.2 t60 -67.21 -57.71 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -38.98 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.7 mtp180 -51.15 -46.63 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.3 t -59.02 -29.47 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 53.2 Cg_endo -69.76 -38.0 8.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 47' ' ' PRO . 33.4 m-85 -92.08 145.21 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 59.2 p -152.59 124.52 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 t -49.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 59.36 47.62 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' LYS . 43.4 t-105 -89.99 173.58 8.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 52' ' ' TRP . 29.7 tttm -34.11 -69.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -133.86 45.85 1.09 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.2 t -97.96 -64.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 62.94 40.87 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -118.36 115.91 25.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 56.4 mtp180 -100.51 173.07 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.7 m-85 -152.98 155.77 37.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.96 -42.2 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -91.61 147.5 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 m -65.7 -64.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.35 -43.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.24 -46.92 65.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' A' ' 69' ' ' ARG . 49.7 tp -61.26 -60.34 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -49.66 -43.65 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -66.8 -24.25 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -89.52 -28.98 19.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 65' ' ' LEU . 3.7 tpp85 -84.03 14.59 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -92.76 -38.65 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -74.39 -28.63 61.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.808 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.5 ptp180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -98.01 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.2 m170 -52.02 109.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.793 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.55 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.6 mp -95.04 126.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' HD11 ' A' ' 35' ' ' LEU . 41.8 t -52.22 106.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -42.28 -41.58 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -54.06 122.77 37.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 160.1 50.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 -45.8 2.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.13 -45.79 16.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 56.13 50.64 60.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -122.52 147.22 46.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 18' ' ' HIS . 11.9 m -150.79 152.98 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CG ' ' HB3' ' A' ' 34' ' ' HIS . 92.1 m-85 -140.45 149.58 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -75.84 -38.41 58.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 15.8 ttmt -75.19 105.86 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.1 p -37.04 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.0 m -83.64 -45.46 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.7 m170 -35.05 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 20' ' ' CYS . 28.9 tp -66.56 -59.26 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -53.04 -34.52 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.33 -24.54 60.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.21 -34.04 16.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -48.06 -33.88 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 41' ' ' THR . 20.8 ptt180 -61.96 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 63.5 p -36.91 -39.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 3.1 mptt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 54.1 Cg_endo -69.79 -15.51 37.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 47' ' ' PRO . 75.4 m-85 -110.32 131.7 54.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.8 p -137.74 165.54 26.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.38 158.11 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -96.34 -37.46 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -56.69 132.74 52.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.43 -48.17 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.18 42.92 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -157.83 109.95 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.2 15.61 20.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -73.59 118.65 16.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -113.43 175.85 5.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -155.59 149.33 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.496 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -81.79 -41.65 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.07 150.39 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.0 p -63.11 -56.91 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -40.82 -55.61 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -38.86 -58.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.84 -49.62 74.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 p -49.75 -55.15 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -61.22 -36.52 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 71' ' ' THR . 67.3 t60 -63.5 -60.39 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' HIS . 39.8 mmm-85 -36.43 -39.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -44.89 -48.02 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 1.013 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -51.05 -31.81 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 28' ' ' THR . 12.0 ptt180 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.813 0.34 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.84 -66.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.849 ' HB3' HD22 ' A' ' 35' ' ' LEU . 9.4 m170 -53.02 104.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.777 HD13 ' CG2' ' A' ' 28' ' ' THR . 5.1 mm -85.23 132.65 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 35' ' ' LEU . 46.5 t -61.95 131.29 49.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -56.47 -49.68 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -59.01 120.24 45.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.702 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 -50.94 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.73 -35.2 16.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 1.8 t -70.41 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.92 55.09 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 18.7 mmmt -118.24 159.81 22.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.777 ' CG2' HD13 ' A' ' 19' ' ' ILE . 7.4 m -158.02 141.85 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -133.81 154.09 51.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 13.7 p90 -73.15 -57.38 4.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 16.2 mmtm -55.83 106.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 67.6 m -41.47 -32.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 34' ' ' HIS . 78.1 p -76.17 -48.92 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.2 m170 -32.89 -60.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.849 HD22 ' HB3' ' A' ' 18' ' ' HIS . 14.4 tp -41.64 -63.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -44.68 -39.89 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.4 -36.01 68.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 41' ' ' THR . 5.1 t60 -67.36 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 38' ' ' HIS . 26.9 m -32.22 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.9 mtp180 -44.64 -51.08 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.6 t -41.69 -34.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.529 0.681 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.78 -38.6 7.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 65' ' ' LEU . 79.1 m-85 -64.63 152.96 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -157.7 142.11 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.2 t -110.09 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -104.93 102.0 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 43.1 t-105 -117.95 17.71 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 65.66 41.16 4.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.99 -32.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' CG ' ' A' ' 57' ' ' ARG . 2.0 t -73.05 -66.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 55.05 45.8 25.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' CG ' ' SG ' ' A' ' 55' ' ' CYS . 16.2 mmm180 -109.35 111.4 22.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 4.6 ptp180 -95.82 165.8 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 54.8 m-85 -156.44 109.33 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -49.19 -42.05 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -80.27 105.65 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.7 p -38.35 -48.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.42 -52.26 54.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -47.92 -50.66 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 48' ' ' PHE . 29.1 tp -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -60.49 -44.73 95.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -81.35 12.68 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -117.25 -32.21 5.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HE ' HD11 ' A' ' 65' ' ' LEU . 31.8 mtt180 -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -81.88 15.51 2.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.7 p -106.98 -35.81 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.816 0.341 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.3 m -97.55 -70.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.4 m-70 -52.67 111.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -95.77 132.52 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.111 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.31 116.28 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -40.96 -48.45 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.96 119.92 45.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.72 -33.58 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 3.7 t -69.51 -52.14 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.71 56.52 20.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 17.2 mmmt -122.44 156.12 34.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.436 ' C ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 m -150.67 147.18 27.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' SER . 96.7 m-85 -134.48 161.05 36.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -90.25 -49.13 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.73 104.35 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.49 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 13.5 t -35.44 -31.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' LYS . 1.7 t -75.97 -46.6 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 8.1 m170 -32.26 -60.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.9 tp -38.58 -48.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' SER . 17.7 mmtp -53.58 -45.33 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.35 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' ARG . 37.2 t60 -65.29 -65.61 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 92.1 m -34.02 -32.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' HIS . 38.1 mtt180 -47.48 -50.09 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 38' ' ' HIS . 11.6 t -50.78 -29.27 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -66.51 127.61 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.6 p -135.07 134.93 40.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 65' ' ' LEU . 38.2 t -66.08 161.89 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 23.1 m -125.35 102.24 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 46.5 t-105 -162.72 177.14 9.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -94.01 117.49 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.34 78.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 15.5 t -97.99 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 58.05 44.14 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -125.08 109.03 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -110.15 172.89 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -153.96 153.16 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.17 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -82.6 177.04 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 p -96.27 -53.48 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.41 -49.35 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.41 -49.72 17.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 50' ' ' CYS . 20.8 tp -61.28 -58.88 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -50.95 -35.75 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 71' ' ' THR . 37.8 ttt180 -72.44 -22.06 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 69' ' ' ARG . 5.4 t60 -92.01 -63.64 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 13.7 tpt85 -41.95 -31.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 71' ' ' THR . 11.6 ptp180 -69.45 -39.08 78.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.2 p -57.3 -50.75 71.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 28' ' ' THR . 42.6 mtt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -97.74 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -54.07 107.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -92.19 140.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 42.6 t -68.2 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 t -43.04 -53.81 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -53.24 123.67 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.288 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.0 -30.84 9.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -78.03 -66.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.08 52.29 24.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 73.4 mttt -120.46 125.81 48.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 18' ' ' HIS . 5.1 m -115.95 156.85 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -145.22 147.39 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -75.31 -52.71 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 9.4 tptm -61.35 104.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 26.3 t -38.41 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.4 m -82.63 -46.0 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 6.0 m170 -35.67 -34.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.3 tp -61.78 -54.84 36.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 1.2 ptmm? -57.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -73.0 -12.11 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.644 ' O ' HG22 ' A' ' 41' ' ' THR . 46.6 t60 -102.58 -29.06 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -84.65 -39.13 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -49.41 -23.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.7 t -88.76 -29.14 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 1.2 mptp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 5.0 m-85 -82.46 128.62 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 p -141.69 133.41 27.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 156.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.7 p -89.86 -42.68 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -52.9 119.75 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' CYS . 26.2 ttmt -57.56 -67.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . -36.91 -31.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.527 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.6 t -71.47 -59.61 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.31 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 55.42 32.07 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -109.5 139.06 44.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.579 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 13.9 ptt-85 -132.71 170.93 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 2.5 m-85 -144.35 155.02 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -78.17 -35.21 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -94.44 151.37 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.5 p -70.79 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' SER . 3.3 m-20 -37.93 -66.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.23 -51.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.3 tm? -67.9 -68.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.631 ' N ' HD13 ' A' ' 65' ' ' LEU . 2.1 m -39.11 -34.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -77.41 -39.13 48.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 71' ' ' THR . 1.7 t60 -61.47 -52.0 66.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.1 mmm180 -38.16 -35.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' HIS . 32.6 mtm180 -49.18 -46.28 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.9 t -41.61 -23.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' ARG . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 28' ' ' THR . 17.8 ptt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -52.01 104.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 19' ' ' ILE . 2.1 mp -84.9 152.51 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -75.47 131.75 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -66.39 -50.66 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.11 130.38 59.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 161.59 45.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 -48.59 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.4 t -41.57 -47.89 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 48.66 50.48 25.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -123.11 120.66 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ILE . 1.8 m -115.77 151.92 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.68 152.17 47.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -80.12 -49.02 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -59.25 101.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 9.3 p -41.6 -34.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' HIS . 26.8 t -75.77 -48.6 21.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 5.9 m170 -32.06 -58.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 18' ' ' HIS . 37.6 tp -37.79 -60.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -45.88 -44.18 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.73 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 41' ' ' THR . 27.7 t60 -55.87 -52.38 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -37.29 -39.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' HIS . 65.5 mtm180 -52.58 -46.19 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.4 t -42.88 -23.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ARG . 74.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 62' ' ' SER . 97.8 m-85 -126.11 117.59 23.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 p -131.88 130.65 41.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.4 139.04 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -111.52 12.71 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 18.5 t-105 -70.96 136.21 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -61.01 132.9 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.19 -56.72 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.4 t -38.79 -68.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 64.7 37.05 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.52 172.56 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -164.25 166.75 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -154.17 145.76 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.03 88.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -87.8 166.0 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.6 t -84.61 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 7.4 p-10 -33.63 -45.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.81 -54.43 46.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -67.52 -56.67 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.828 ' N ' HD13 ' A' ' 65' ' ' LEU . 5.5 p -44.6 -48.2 10.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.0 -34.73 78.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.572 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -79.06 -19.59 50.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 tpt85 -88.22 -34.57 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -73.4 -32.92 64.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 68' ' ' HIS . 7.7 t -63.98 -22.59 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.054 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.4 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 14.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.594 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.6 ptp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -97.92 -71.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' THR . 43.1 m-70 -52.28 105.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 28' ' ' THR . 2.9 mm -88.14 114.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.08 110.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 -46.64 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.07 113.69 4.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.02 -31.15 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -49.82 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.13 70.23 0.95 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -133.34 138.02 46.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.007 HG23 ' O ' ' A' ' 18' ' ' HIS . 15.4 m -140.27 141.58 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 38' ' ' HIS . 90.1 m-85 -122.13 143.86 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -66.43 -53.04 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 52.6 mmtt -60.01 102.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 24.7 p -38.85 -25.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' LYS . 87.6 p -84.41 -49.08 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 3.4 m170 -32.85 -59.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 18' ' ' HIS . 10.0 tp -33.48 -58.18 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -42.97 -43.95 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.2 -36.76 83.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 28.4 t60 -70.51 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -40.8 -31.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -61.15 -43.7 98.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -47.78 -33.36 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 58.1 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.75 -12.91 33.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.624 2.216 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -106.86 167.79 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -162.59 165.38 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 16.2 t -66.39 165.49 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -89.66 -46.83 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -55.71 124.66 18.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -56.73 -62.05 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.2 -43.36 5.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.9 119.94 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.04 10.72 40.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -74.55 116.48 15.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -108.12 169.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CZ ' ' CG ' ' A' ' 68' ' ' HIS . 34.8 m-85 -148.79 162.88 38.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.77 -46.75 5.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -92.23 131.36 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 t -48.35 -50.27 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.98 -58.46 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -46.51 -46.93 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 10.4 tp -63.97 -49.69 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -54.52 -41.9 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -66.86 -57.02 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.789 ' O ' HG22 ' A' ' 71' ' ' THR . 17.5 t60 -44.75 -53.1 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . 8.7 mtm105 -34.48 -40.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -43.96 -52.33 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' HIS . 12.3 t -40.74 -33.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HB3' HG22 ' A' ' 28' ' ' THR . 36.4 mtm180 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -97.94 -68.59 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.59 ' HD1' HD12 ' A' ' 35' ' ' LEU . 11.5 m-70 -52.43 103.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 28' ' ' THR . 4.3 mm -84.77 139.77 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.01 123.35 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.81 116.49 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 -46.89 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.597 2.198 . . . . 0.0 112.323 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.55 62.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.524 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.5 t -66.97 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.51 61.22 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 2.0 tppt? -129.97 124.04 32.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.603 ' CG2' HD13 ' A' ' 19' ' ' ILE . 11.6 m -130.4 151.94 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.18 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 27' ' ' LYS . 75.8 m-85 -147.49 127.79 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.5 t80 -46.39 -50.35 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 11.2 mmmt -59.67 102.39 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.3 m -42.19 -48.75 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' HIS . 45.2 p -61.04 -55.14 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 7.1 m170 -35.04 -63.52 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.66 -67.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 35' ' ' LEU . 8.0 mtmp? -37.86 -44.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -60.59 -51.62 68.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' THR . 12.7 t60 -48.95 -52.15 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 97.7 m -34.44 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 38' ' ' HIS . 59.9 mtt180 -48.49 -50.07 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 38' ' ' HIS . 14.2 t -47.49 -22.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.658 0.742 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -2.66 10.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 74.0 m-85 -139.04 117.51 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -123.45 126.31 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -44.05 -51.6 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 m 61.47 46.02 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.492 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 15.4 t-105 -84.72 178.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -63.15 -29.29 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.05 32.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 49.8 t -94.64 -58.94 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 58.08 41.16 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -116.63 114.95 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -111.61 158.04 19.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 22.2 m-85 -130.79 147.33 52.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.39 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -99.8 134.01 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.536 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 67.8 p -48.56 -57.5 6.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -38.14 -53.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 18.7 mm-40 -45.05 -49.6 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 48' ' ' PHE . 13.0 tp -64.32 -55.86 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -44.59 -42.11 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -73.05 -52.52 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 71' ' ' THR . 16.2 t60 -47.62 -39.37 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -39.53 -27.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' HIS . 22.2 ptt180 -53.58 -46.35 70.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -45.51 -22.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.434 ' CD2' HG23 ' A' ' 71' ' ' THR . 62.7 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.555 ' O ' HG21 ' A' ' 28' ' ' THR . 8.6 ptm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -82.29 -68.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 4.7 m-70 -58.64 102.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.829 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.6 mm -88.1 128.61 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -54.19 -24.39 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 t 56.41 32.11 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLY . 9.2 t60 -123.55 137.64 28.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.6 Cg_endo -69.75 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -28.39 71.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -97.9 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 59.85 31.43 71.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.506 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.68 177.77 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.829 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.9 m -156.52 149.65 24.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -138.65 155.31 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -87.54 -51.11 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 11.3 mtmt -59.36 102.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 t -40.11 -36.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' HIS . 70.0 m -69.28 -53.14 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' SER . 3.1 m170 -32.04 -64.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.3 tp -32.27 -54.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -52.65 -50.5 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.37 -29.39 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' THR . 38.9 t60 -83.66 -21.95 32.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' LEU . 90.2 m -88.52 -38.13 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' THR . 6.1 ptp180 -64.32 -31.64 72.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 13.0 t -72.1 -37.97 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -38.08 8.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.276 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.743 ' HB3' HD22 ' A' ' 65' ' ' LEU . 92.9 m-85 -93.94 144.36 25.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 34.5 p -152.3 125.81 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.97 140.76 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.2 p -105.48 16.9 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 47.8 t-105 -77.21 127.29 32.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.88 129.99 31.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.61 -47.82 3.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 37.6 t -42.16 -62.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 55' ' ' CYS . 4.0 pt-20 50.99 33.19 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -99.73 120.68 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 70.3 mtt180 -108.86 150.53 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 3.3 m-85 -137.26 154.11 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.15 -46.72 9.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -68.43 149.09 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 12.7 t -84.88 -41.48 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.93 -47.39 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -49.44 -49.01 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.7 tp -62.72 -48.89 77.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -40.42 -50.8 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -70.9 -48.15 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -45.39 -29.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 70' ' ' ARG . 28.1 mmm-85 -96.0 -43.45 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' ARG . 6.0 mtm180 -33.34 -60.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.1 t -85.68 -29.28 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 1.7 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.1 ptp180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.97 -67.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 10.4 m-70 -51.92 108.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -90.55 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -57.82 108.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -45.32 -44.6 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -52.87 116.73 9.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.93 58.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.381 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -43.31 2.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.37 -59.23 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 52.48 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.551 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 16' ' ' ARG . 7.2 m -158.65 149.91 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -141.18 143.71 34.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.6 t80 -63.78 -59.78 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 14.9 mtpp -55.59 102.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 12.3 p -38.65 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' HIS . 68.6 m -77.92 -47.75 17.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.3 m170 -32.8 -51.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' HIS . 43.4 tp -37.31 -56.44 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -50.28 -51.49 44.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.29 -19.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.574 ' O ' HG22 ' A' ' 41' ' ' THR . 61.6 t60 -93.23 -46.59 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 m -46.18 -27.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -48.68 -32.28 8.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.4 t -80.66 17.02 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 6.0 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.283 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 97.0 m-85 -71.49 120.34 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.5 p -128.18 145.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.39 142.24 57.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -95.2 17.06 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 57.1 t-105 -93.53 120.07 33.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.87 123.65 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.15 -45.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.1 t -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 54.49 41.48 31.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -117.76 128.77 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 87.9 mtm-85 -120.51 176.96 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ARG . 68.4 m-85 -157.82 146.63 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.31 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -94.27 142.81 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 t -64.31 -50.27 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -42.67 -44.56 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.5 -48.88 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.4 tp -52.74 -61.1 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.5 t -52.42 -53.31 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -58.94 -15.09 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 71' ' ' THR . 2.0 t60 -98.16 -28.97 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' HIS . 21.3 mmm-85 -82.15 -35.66 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -41.36 -42.16 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 68' ' ' HIS . 8.8 t -69.5 -35.0 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.635 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.2 ptp180 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.89 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.4 m170 -52.02 105.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -88.16 105.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.0 t -33.04 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' ILE . 50.5 m 52.79 34.89 17.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 49.5 t60 -105.56 140.02 20.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.79 111.6 2.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.57 2.18 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.92 -38.2 3.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -80.55 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.46 54.8 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 12.3 tptm -114.35 157.63 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.527 HG23 ' C ' ' A' ' 18' ' ' HIS . 17.3 m -144.53 151.94 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' C ' ' HA ' ' A' ' 16' ' ' ARG . 96.3 m-85 -145.16 151.38 38.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 16.9 t80 -71.91 -58.55 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 20.1 mmmt -57.06 102.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 77.8 p -42.53 -33.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' HIS . 66.4 m -70.54 -51.71 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 4.9 m170 -32.38 -59.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 34' ' ' HIS . 22.9 tp -33.07 -60.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -46.91 -48.1 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -64.47 -42.95 95.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.544 ' O ' HG22 ' A' ' 41' ' ' THR . 16.2 t60 -59.9 -52.39 65.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' HIS . 90.6 m -32.36 -35.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' HIS . 58.3 mtp180 -45.15 -51.06 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 38' ' ' HIS . 10.1 t -37.55 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.533 ' CE1' HG23 ' A' ' 41' ' ' THR . 18.9 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 9.6 mptt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.88 27.2 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -131.63 119.18 21.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -124.61 170.36 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.7 t -75.63 149.77 38.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -91.74 -21.96 20.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.754 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 24.9 t-105 -56.24 149.49 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.77 111.25 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.15 34.04 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 10.6 t -109.4 -28.78 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 55' ' ' CYS . 16.8 pt-20 39.34 35.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -116.38 110.89 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -108.96 167.09 10.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -148.49 106.93 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 46' ' ' LYS . . . -44.35 -44.64 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' NE ' ' HB3' ' A' ' 63' ' ' ASP . 25.3 ttp180 -83.72 122.77 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -49.02 -43.34 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 42.6 t0 -59.51 -52.65 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -44.36 -42.96 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 50' ' ' CYS . 35.3 tp -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -52.87 -48.35 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.57 -42.49 92.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.827 ' O ' HG22 ' A' ' 71' ' ' THR . 19.8 t60 -64.97 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' HIS . 15.7 mmm-85 -32.81 -37.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' HIS . 42.4 mtt180 -36.9 -48.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 68' ' ' HIS . 3.1 t -53.14 -41.47 65.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.754 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 28' ' ' THR . 16.2 ptp180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.98 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' THR . 8.0 m170 -54.73 112.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -98.63 109.73 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -45.88 -34.65 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m 52.22 35.65 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 9.2 t60 -96.49 139.95 21.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.81 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -46.17 1.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.42 -63.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.06 69.19 1.35 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 21.3 tptt -121.36 134.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.2 m -131.7 143.7 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 34' ' ' HIS . 88.1 m-85 -130.1 156.73 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 6.6 p90 -105.67 -3.55 22.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' SER . 33.7 mmtt -100.06 7.32 44.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . 95.9 p 34.4 31.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LYS . 68.4 m -117.98 -38.1 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 29' ' ' TYR . 2.3 m-70 -60.62 -59.64 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' HIS . 35.1 tp -32.33 -43.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.8 -53.54 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -85.08 9.49 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' HIS . 15.0 t60 -116.99 -21.58 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 92.1 m -83.64 -33.04 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -48.81 -48.93 41.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.4 t -61.95 -39.55 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' THR . 2.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -26.73 27.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.401 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 27.4 m-85 -95.7 18.0 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.2 p -52.03 122.6 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.89 163.27 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -149.8 108.54 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 25.9 t-105 -144.7 172.91 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.07 -42.35 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.6 51.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 44.8 t -121.53 123.12 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -112.2 13.23 20.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.42 131.59 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -138.12 133.29 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.68 156.46 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 -40.56 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.72 169.23 17.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 84.0 p -89.0 -47.56 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.21 -53.19 22.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -47.41 -59.32 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -53.94 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -43.71 -41.27 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.1 -41.72 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 9.1 t60 -67.82 -45.56 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ARG . 11.5 mmm180 -36.43 -43.41 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.2 ptm180 -33.88 -44.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 p -47.76 -51.24 23.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.872 0.367 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.506 ' H ' ' N ' ' A' ' 30' ' ' PHE . 67.6 m -147.17 173.13 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.707 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.9 m-70 66.47 48.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.722 HG13 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -55.87 112.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.7 t -33.49 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.4 t 53.98 32.11 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 7.4 t60 -101.09 141.18 22.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.8 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.75 -48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -63.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.35 99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.31 160.56 37.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG13 ' A' ' 19' ' ' ILE . 1.7 m -134.39 163.03 30.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 17' ' ' SER . 84.4 m-85 -157.9 102.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.506 ' N ' ' H ' ' A' ' 17' ' ' SER . 3.6 p90 -37.33 -46.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 1.6 tppt? -69.39 128.03 35.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 33.5 p -62.18 -42.13 98.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -64.72 -46.02 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 m170 -37.68 -53.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 18' ' ' HIS . 53.8 tp -48.04 -51.16 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.91 -39.2 62.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.24 53.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 6.1 t60 -64.56 -62.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 52.6 m -35.84 -41.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -52.36 -46.62 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.4 p -38.02 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -50.42 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 86.6 m-85 -78.03 120.65 23.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 58' ' ' ARG . 75.9 p -133.88 136.32 44.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -50.45 -66.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 t 58.79 47.86 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LYS . 55.1 t-105 -83.97 173.89 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' TRP . 20.4 tptm -33.94 -47.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.64 39.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.03 135.52 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -115.83 13.16 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -75.3 149.31 38.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 11.7 ptp85 -150.2 176.86 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 8.1 m-85 -154.79 158.93 40.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.15 -51.27 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.75 139.09 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.1 t -61.0 -46.35 91.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.66 -51.56 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.43 -52.61 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 48' ' ' PHE . 20.1 tp -49.85 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t -38.16 -47.78 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -59.13 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 5.5 t60 -40.4 -53.35 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -37.25 -45.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' ARG . 60.7 mtt180 -35.22 -50.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.1 p -40.23 -52.39 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 16.1 ptt-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.84 -70.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.582 ' CG ' ' HA ' ' A' ' 32' ' ' SER . 17.0 m-70 -53.71 109.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.1 mp -93.4 153.1 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' SER . 44.6 t -65.72 102.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 33.7 t -36.78 -38.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -58.83 128.92 84.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 148.31 65.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.736 2.29 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.97 -40.82 3.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.01 -69.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.37 -22.53 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -52.05 106.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 19' ' ' ILE . 7.4 m -102.27 155.41 18.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.57 133.47 34.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 2.7 p90 -60.19 -42.04 94.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.6 106.29 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.582 ' HA ' ' CG ' ' A' ' 18' ' ' HIS . 8.0 t -42.11 -57.95 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -53.89 -58.42 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' SER . 11.2 m170 -32.56 -65.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.033 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -37.42 -62.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 1.033 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.1 mtpm? -48.0 -47.09 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.22 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' HA ' HG23 ' A' ' 41' ' ' THR . 23.6 t60 -88.96 -43.3 11.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -43.33 -33.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.87 -36.0 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 38' ' ' HIS . 44.4 p -39.19 -36.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mttp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -28.23 25.87 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.67 157.15 16.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.9 p -160.85 155.1 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.88 123.44 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -87.77 6.8 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -61.29 158.09 15.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 125.29 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.15 -37.95 3.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.416 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 t -40.43 -68.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.13 41.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -134.53 110.75 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -100.67 178.5 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.37 169.89 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.64 -50.02 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -82.51 155.81 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.33 -40.98 22.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.84 -56.56 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -48.99 -42.0 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.61 -41.38 79.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -55.62 -39.8 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -83.8 -26.58 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 2.0 t60 -84.57 -10.36 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -94.11 -48.39 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -63.92 -27.28 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -66.89 -36.1 81.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.3 ptt85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -98.03 -65.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' THR . 9.7 m170 -51.88 105.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.668 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -86.17 137.69 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 35' ' ' LEU . 8.7 t -65.47 110.91 2.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 40.7 t -34.47 -50.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.69 119.8 50.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.06 -36.02 34.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.88 -58.36 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.15 51.67 26.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.27 138.78 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' HIS . 14.7 m -138.36 150.06 46.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -140.58 142.31 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -63.84 -57.45 9.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 24.0 mmtm -52.89 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 58.7 m -41.43 -29.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 34' ' ' HIS . 9.9 t -77.33 -48.93 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 5.0 m170 -32.65 -57.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 20' ' ' CYS . 16.3 tp -40.32 -54.78 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -48.65 -42.06 33.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.79 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -72.26 -23.82 61.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -86.04 -29.62 23.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -45.68 -50.12 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 42' ' ' HIS . 9.3 t -62.36 -46.22 89.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.519 ' N ' HG23 ' A' ' 41' ' ' THR . 23.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CE ' ' HB2' ' A' ' 58' ' ' ARG . 8.9 pttt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.562 0.696 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.76 -27.82 25.98 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.387 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 69.4 m-85 -82.43 18.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 25.2 p -57.91 127.44 32.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 27.4 t -52.22 150.79 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 t -111.07 17.12 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 1.1 t-105 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -98.0 -69.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.55 41.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 52' ' ' TRP . 1.4 t -55.26 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 58.42 46.09 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 14.8 mmt180 -117.98 111.08 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -93.31 161.42 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.485 ' C ' ' HB2' ' A' ' 46' ' ' LYS . 4.7 m-85 -152.68 127.69 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . . . -73.63 -28.2 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p -83.5 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -39.81 -48.35 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -43.28 -55.16 4.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD11 ' HE ' ' A' ' 69' ' ' ARG . 34.8 tp -61.6 -47.64 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -50.19 -53.52 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 71' ' ' THR . 6.3 tpp180 -75.62 -27.75 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CD2' ' CE2' ' A' ' 59' ' ' PHE . 42.1 t60 -76.68 -20.15 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HE ' HD11 ' A' ' 65' ' ' LEU . 15.4 mmt180 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 1.9 ptm85 -48.31 -20.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 67' ' ' ARG . 73.1 p -81.85 -36.39 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB3' HG22 ' A' ' 28' ' ' THR . 56.2 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 28' ' ' THR . 9.7 m-70 -53.4 103.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 28' ' ' THR . 13.4 mm -86.77 135.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.5 t -57.96 135.67 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -74.71 -44.9 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -54.66 127.2 59.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 156.86 62.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.33 -43.14 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.88 -43.69 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.29 56.12 8.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -121.68 158.39 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.729 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.6 m -154.11 151.07 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -141.41 120.67 13.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.75 -50.62 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 1.5 mptp? -57.47 124.83 20.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.593 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 8.5 t -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' HIS . 18.5 t -69.99 -45.65 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 2.3 m170 -32.69 -61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.3 tp -39.43 -60.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -44.7 -42.28 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.2 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' THR . 49.0 t60 -66.01 -58.88 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -41.28 -34.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -62.25 -40.69 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 38' ' ' HIS . 53.5 p -53.65 -40.83 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.605 0.717 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.5 Cg_endo -69.84 2.93 3.12 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 152.78 48.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 53.2 p -159.15 158.43 32.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.25 115.4 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -85.5 111.01 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -168.72 177.94 4.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -99.16 115.35 28.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.29 -42.41 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.512 ' C ' ' HG3' ' A' ' 56' ' ' GLU . 6.4 t -59.09 -61.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HG3' ' C ' ' A' ' 55' ' ' CYS . 2.1 pp20? 36.68 40.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 13.0 mmt180 -105.8 121.12 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 20.8 mtp180 -106.66 169.15 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -150.46 164.74 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.39 -48.22 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -96.11 136.87 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t -56.48 -50.18 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -38.27 -52.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -53.45 -55.12 27.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.85 -56.37 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -39.73 -52.44 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' CD ' ' HD3' ' A' ' 70' ' ' ARG . 5.7 tmm_? -65.33 -59.87 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.0 t60 -41.28 -50.2 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' HIS . 22.4 mmt180 -36.28 -43.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HD3' ' CD ' ' A' ' 67' ' ' ARG . 8.5 ptm180 -35.27 -47.49 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.5 p -39.77 -47.08 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.2 ptt180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -68.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 28' ' ' THR . 12.4 m-70 -51.96 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.609 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.1 mm -86.58 148.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.4 t -69.49 114.13 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' CYS . 15.7 t -35.56 -58.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.31 118.64 32.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.536 0.684 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.41 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.374 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.04 9.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.73 -67.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.59 78.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -150.99 158.74 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' HIS . 6.6 m -155.58 151.97 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.29 125.86 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 5.2 p90 -45.22 -47.66 12.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 18.0 mmtp -62.64 113.83 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.593 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 30.3 p -50.2 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' HIS . 63.8 p -47.42 -55.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 m170 -33.73 -68.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -34.91 -68.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 1.014 ' N ' HD13 ' A' ' 35' ' ' LEU . 3.4 mtpm? -37.43 -40.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -68.56 -45.45 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.605 ' O ' HG22 ' A' ' 41' ' ' THR . 2.1 t60 -58.2 -15.24 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -88.25 -36.05 16.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -73.2 -13.04 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 5.3 t -88.21 -14.86 37.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CB ' ' HD3' ' A' ' 58' ' ' ARG . 45.6 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.583 0.706 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.62 7.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.7 m-85 -87.54 129.02 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . 29.7 p -145.91 116.86 7.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ARG . 5.6 t -52.11 151.56 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -119.72 107.39 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -162.28 173.67 13.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -96.04 109.86 22.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.62 -48.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.6 t -50.13 -68.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.31 45.62 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 50' ' ' CYS . 6.1 mmp_? -109.55 149.68 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.643 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -144.71 174.06 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 3.4 m-85 -151.29 177.99 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HD3' ' A' ' 46' ' ' LYS . . . -96.85 -39.02 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -94.75 145.61 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -71.91 -20.84 61.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.36 -45.32 19.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -64.78 -39.01 92.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 65' ' ' LEU . 3.3 t -43.14 -48.59 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 71' ' ' THR . 55.8 ttp85 -56.07 -36.5 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.584 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -73.7 -19.0 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -80.38 -49.65 11.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -58.6 -31.27 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 67' ' ' ARG . 34.1 p -61.88 -47.76 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' THR . 15.6 m-70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB2' HG21 ' A' ' 28' ' ' THR . 10.0 ptm180 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.777 0.322 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -97.93 -75.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -73.63 101.97 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.41 112.75 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.15 -34.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 55.35 33.87 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 22.1 t60 -107.68 141.27 22.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.2 Cg_endo -69.7 116.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.82 -46.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -60.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.42 60.11 7.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -124.43 161.62 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 16' ' ' ARG . 63.4 m -148.93 159.01 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' N ' HG22 ' A' ' 28' ' ' THR . 95.1 m-85 -151.05 105.42 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -32.13 -56.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 34' ' ' HIS . 3.1 ttmm -60.27 151.73 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 78.1 p -80.14 -42.93 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.8 p -65.91 -40.19 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CD2' ' HD2' ' A' ' 31' ' ' LYS . 6.3 m170 -40.01 -68.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 18' ' ' HIS . 30.9 tp -39.62 -47.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -54.48 -40.1 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -70.74 -39.75 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 41' ' ' THR . 7.4 t60 -66.25 -46.36 77.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.6 m -34.66 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' HIS . 76.1 mtp180 -47.41 -52.12 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.0 t -44.27 -24.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.85 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.605 0.717 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.8 Cg_endo -69.75 -24.78 29.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.6 m-85 -94.67 151.4 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.0 p -157.35 134.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.37 158.92 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -140.68 108.54 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 9.8 t-105 -146.04 172.24 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -41.89 -63.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.51 39.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 2.6 t -74.03 -68.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.727 0.299 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 57.15 45.1 21.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -133.5 110.11 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 3.9 ptp180 -103.67 170.79 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -148.61 162.54 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.25 -44.99 9.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -84.0 155.2 22.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 47.8 p -80.12 -42.53 23.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -52.84 -57.88 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -43.88 -49.21 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.46 -45.33 80.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.5 m -50.15 -35.4 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -89.72 -37.64 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -72.25 -16.01 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.7 -46.44 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.43 -23.29 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.2 t -75.11 -35.25 61.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.96 -69.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 11.6 m-70 -52.32 106.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -88.1 154.51 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 t -70.62 130.62 42.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -66.19 -41.15 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -55.09 119.23 21.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.672 0.748 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 156.79 62.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.7 -43.21 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.94 -66.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.55 73.31 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 159.04 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' HB2' ' A' ' 16' ' ' ARG . 3.5 m -160.95 152.01 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -150.55 127.84 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 31' ' ' LYS . 1.6 p90 -50.25 -34.06 21.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.5 mmtp -68.54 102.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 16.9 p -44.18 -45.86 8.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' HIS . 31.1 p -67.6 -54.4 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' LEU . 8.2 m170 -35.12 -65.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -33.15 -68.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 1.003 ' N ' HD13 ' A' ' 35' ' ' LEU . 54.8 mttm -36.29 -46.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' THR . . . -61.73 -57.18 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.053 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.54 ' O ' HG22 ' A' ' 41' ' ' THR . 19.4 t60 -44.67 -21.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 30.4 m -91.21 -41.73 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.23 -10.09 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.9 t -95.31 -26.78 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mttm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.78 -48.55 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 62' ' ' SER . 69.2 m-85 -65.96 132.75 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -136.03 156.05 49.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.7 159.29 33.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -39.7 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -52.38 134.13 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 55' ' ' CYS . . . -51.1 -48.51 46.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t -35.16 -67.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 58.25 44.03 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -123.73 111.14 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.588 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 65.8 mtt85 -98.81 177.52 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.2 m-85 -156.19 142.54 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.423 ' CB ' ' HE ' ' A' ' 61' ' ' ARG . . . -69.06 -42.66 75.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HE ' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -88.6 153.02 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 m -77.98 -40.08 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.64 -48.53 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -48.12 -48.19 34.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.11 -62.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 t -43.15 -50.3 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -61.51 -37.76 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.57 -57.16 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' THR . 17.6 mtm180 -41.78 -45.03 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' ARG . 85.0 mtt-85 -33.68 -35.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ARG . 72.6 p -56.89 -51.98 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.7 p-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.71 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.798 0.332 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -98.0 -69.26 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.772 ' O ' HG23 ' A' ' 28' ' ' THR . 9.9 m170 -52.33 110.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -93.32 144.31 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 2.2 t -62.51 133.68 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 t -72.81 -43.82 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -56.76 126.74 72.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.713 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.55 69.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 -40.22 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.36 -58.94 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.86 53.32 27.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 3.7 tppt? -125.26 124.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' HIS . 34.3 m -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -129.73 148.74 51.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -74.09 -51.18 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB2' ' ND1' ' A' ' 34' ' ' HIS . 26.9 mmtm -62.07 102.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 69.7 p -37.82 -32.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -73.53 -50.04 23.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.7 m170 -32.22 -57.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 18' ' ' HIS . 32.9 tp -40.64 -46.75 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' SER . 37.5 ttpt -54.55 -40.71 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.49 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' THR . 25.5 t60 -66.42 -46.73 75.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -43.8 -34.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -45.54 -50.73 12.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 38' ' ' HIS . 8.9 t -39.89 -29.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 41' ' ' THR . 27.1 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.572 0.701 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 69.3 m-85 -76.41 148.39 37.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 49.4 p -153.31 147.11 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -112.88 107.91 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -98.16 102.01 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 52.3 t-105 -117.95 17.81 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 52' ' ' TRP . 31.7 mtmm 64.88 39.06 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.18 -34.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.56 -69.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 60.66 43.05 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -104.63 108.33 19.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 49' ' ' SER . 3.4 ptp180 -103.35 156.88 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -143.02 148.88 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -54.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -71.2 162.91 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 93.5 p -88.22 -37.57 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -62.2 -50.27 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -45.19 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 48' ' ' PHE . 57.7 tp -63.87 -49.73 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -57.31 -41.43 79.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -75.16 -25.2 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' THR . 2.8 t60 -86.94 -20.74 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -92.85 -43.52 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -44.64 -29.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 72' ' ' HIS . 9.6 t -77.36 -41.89 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 71' ' ' THR . 11.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -160.56 167.42 27.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -138.25 176.09 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 99.42 1.02 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -111.38 13.71 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -41.08 -60.46 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.39 -165.03 42.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 150.1 67.54 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.04 16.63 26.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mm -74.67 117.49 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -154.38 157.44 38.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -128.88 125.5 37.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.2 t -62.76 110.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.47 161.37 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -73.07 133.82 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' A' ' 28' ' ' THR . 23.2 ptt180 -151.58 110.56 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.86 -67.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.3 m-70 -52.02 108.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.613 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -91.21 143.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -69.55 122.53 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.0 m -60.69 -44.05 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -53.18 129.66 50.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.665 0.745 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.94 55.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' CYS . . . 76.23 -51.44 2.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.43 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' GLY . 32.2 t -37.99 -60.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.52 50.78 63.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -127.23 121.86 32.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 18' ' ' HIS . 10.9 m -118.67 154.24 33.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.8 153.19 50.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -78.8 -53.53 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 27.5 mmtt -60.94 101.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 68.0 p -40.51 -27.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.464 ' O ' ' C ' ' A' ' 34' ' ' HIS . 1.4 t -77.64 -48.61 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 33' ' ' SER . 8.5 m170 -33.2 -57.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.9 tp -38.54 -58.39 1.04 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -48.32 -43.67 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.95 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.941 ' O ' HG22 ' A' ' 41' ' ' THR . 55.2 t60 -67.21 -57.71 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -38.98 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.7 mtp180 -51.15 -46.63 62.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.941 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.3 t -59.02 -29.47 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -75.17 -48.55 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.7 p -86.56 123.53 31.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.5 175.94 25.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.43 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.18 -55.41 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.404 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -133.55 120.26 15.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 53.2 Cg_endo -69.76 -38.0 8.39 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.72 2.28 . . . . 0.0 112.308 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CD2' ' HG2' ' A' ' 47' ' ' PRO . 33.4 m-85 -92.08 145.21 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 59.2 p -152.59 124.52 7.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.8 t -49.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 59.36 47.62 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' A' ' 53' ' ' LYS . 43.4 t-105 -89.99 173.58 8.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 52' ' ' TRP . 29.7 tttm -34.11 -69.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -133.86 45.85 1.09 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.2 t -97.96 -64.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 62.94 40.87 9.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -118.36 115.91 25.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 56.4 mtp180 -100.51 173.07 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.7 m-85 -152.98 155.77 37.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.96 -42.2 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -91.61 147.5 22.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 m -65.7 -64.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.35 -43.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.24 -46.92 65.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' A' ' 69' ' ' ARG . 49.7 tp -61.26 -60.34 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -49.66 -43.65 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -66.8 -24.25 66.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -89.52 -28.98 19.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' A' ' 65' ' ' LEU . 3.7 tpp85 -84.03 14.59 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -92.76 -38.65 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 t -74.39 -28.63 61.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.808 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -88.63 -62.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.922 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -167.93 176.33 6.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.89 -175.54 13.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -161.82 172.5 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -159.66 167.43 28.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.26 125.8 5.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -178.7 2.49 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.297 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.09 137.44 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -100.79 112.74 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -72.04 -58.8 3.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 p 52.45 39.6 28.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -66.1 127.61 32.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -147.08 161.8 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mt -62.4 130.48 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.5 ptp180 -157.98 110.57 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -98.01 -68.06 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.2 m170 -52.02 109.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.793 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.55 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.6 mp -95.04 126.43 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HA ' HD11 ' A' ' 35' ' ' LEU . 41.8 t -52.22 106.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -42.28 -41.58 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -54.06 122.77 37.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.89 160.1 50.89 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.22 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 -45.8 2.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -46.13 -45.79 16.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.367 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 56.13 50.64 60.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -122.52 147.22 46.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 18' ' ' HIS . 11.9 m -150.79 152.98 34.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CG ' ' HB3' ' A' ' 34' ' ' HIS . 92.1 m-85 -140.45 149.58 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -75.84 -38.41 58.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 15.8 ttmt -75.19 105.86 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.1 p -37.04 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.0 m -83.64 -45.46 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.552 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.7 m170 -35.05 -31.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 20' ' ' CYS . 28.9 tp -66.56 -59.26 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -53.04 -34.52 56.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.33 -24.54 60.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.21 -34.04 16.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -48.06 -33.88 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 41' ' ' THR . 20.8 ptt180 -61.96 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 63.5 p -36.91 -39.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -76.39 -45.24 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 43' ' ' THR . 9.9 t -113.2 110.94 21.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.65 -160.8 28.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.416 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -92.16 154.23 18.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 3.1 mptt -82.61 111.1 26.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 54.1 Cg_endo -69.79 -15.51 37.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 47' ' ' PRO . 75.4 m-85 -110.32 131.7 54.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.8 p -137.74 165.54 26.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.38 158.11 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.3 p -96.34 -37.46 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -56.69 132.74 52.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -61.43 -48.17 82.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.18 42.92 2.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.8 t -157.83 109.95 2.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.2 15.61 20.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -73.59 118.65 16.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -113.43 175.85 5.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -155.59 149.33 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.496 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -81.79 -41.65 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -93.07 150.39 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.0 p -63.11 -56.91 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -40.82 -55.61 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -38.86 -58.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.84 -49.62 74.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 p -49.75 -55.15 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -61.22 -36.52 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.013 ' O ' HG22 ' A' ' 71' ' ' THR . 67.3 t60 -63.5 -60.39 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' HIS . 39.8 mmm-85 -36.43 -39.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -44.89 -48.02 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 1.013 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -51.05 -31.81 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -152.63 154.98 36.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -155.22 167.67 29.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.39 165.53 33.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -165.62 166.55 18.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -147.57 160.97 42.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.56 152.49 20.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 174.76 8.95 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -121.99 159.65 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.48 134.99 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -101.72 156.2 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -135.95 159.71 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -109.24 165.24 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -134.61 159.63 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.67 HG22 ' HB3' ' A' ' 30' ' ' PHE . 38.9 mm -63.94 126.57 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 28' ' ' THR . 12.0 ptt180 -157.78 104.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -97.84 -66.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.849 ' HB3' HD22 ' A' ' 35' ' ' LEU . 9.4 m170 -53.02 104.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.777 HD13 ' CG2' ' A' ' 28' ' ' THR . 5.1 mm -85.23 132.65 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 35' ' ' LEU . 46.5 t -61.95 131.29 49.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 t -56.47 -49.68 73.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -59.01 120.24 45.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.573 0.702 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 -50.94 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.73 -35.2 16.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.469 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 1.8 t -70.41 -60.14 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.92 55.09 11.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 18.7 mmmt -118.24 159.81 22.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.777 ' CG2' HD13 ' A' ' 19' ' ' ILE . 7.4 m -158.02 141.85 15.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -133.81 154.09 51.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.67 ' HB3' HG22 ' A' ' 15' ' ' ILE . 13.7 p90 -73.15 -57.38 4.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 16.2 mmtm -55.83 106.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 67.6 m -41.47 -32.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 34' ' ' HIS . 78.1 p -76.17 -48.92 18.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.2 m170 -32.89 -60.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.849 HD22 ' HB3' ' A' ' 18' ' ' HIS . 14.4 tp -41.64 -63.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -44.68 -39.89 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.4 -36.01 68.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.531 ' O ' HG22 ' A' ' 41' ' ' THR . 5.1 t60 -67.36 -62.37 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 38' ' ' HIS . 26.9 m -32.22 -39.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' HIS . 33.9 mtp180 -44.64 -51.08 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.6 t -41.69 -34.53 0.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -71.86 -55.12 8.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 43' ' ' THR . 4.0 t -78.56 107.79 11.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.91 159.55 10.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -40.78 -48.37 3.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -107.29 102.02 41.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.681 . . . . 0.0 110.962 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.78 -38.6 7.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.676 ' HB3' HD22 ' A' ' 65' ' ' LEU . 79.1 m-85 -64.63 152.96 40.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 p -157.7 142.11 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.2 t -110.09 111.75 23.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -104.93 102.0 11.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 43.1 t-105 -117.95 17.71 14.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 65.66 41.16 4.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.99 -32.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' CG ' ' A' ' 57' ' ' ARG . 2.0 t -73.05 -66.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 55.05 45.8 25.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' CG ' ' SG ' ' A' ' 55' ' ' CYS . 16.2 mmm180 -109.35 111.4 22.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 4.6 ptp180 -95.82 165.8 12.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 54.8 m-85 -156.44 109.33 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -49.19 -42.05 38.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -80.27 105.65 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.7 p -38.35 -48.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -52.42 -52.26 54.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -47.92 -50.66 26.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 48' ' ' PHE . 29.1 tp -62.03 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -60.49 -44.73 95.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -81.35 12.68 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -117.25 -32.21 5.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HE ' HD11 ' A' ' 65' ' ' LEU . 31.8 mtt180 -72.05 -20.1 61.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -81.88 15.51 2.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.7 p -106.98 -35.81 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -83.28 -62.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -163.42 163.3 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.87 114.65 0.41 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -150.78 152.22 33.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -162.97 168.31 21.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.7 123.32 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 107.15 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -117.32 16.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.53 173.77 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -71.45 143.65 50.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.9 p -87.88 -56.23 3.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 m -144.41 163.97 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -93.05 102.67 15.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 20.7 mt -65.11 129.2 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -80.76 112.36 18.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' TYR . 1.3 m -97.55 -70.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.4 m-70 -52.67 111.72 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -95.77 132.52 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.111 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.31 116.28 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -40.96 -48.45 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.96 119.92 45.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.72 -33.58 12.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.496 ' SG ' ' CG ' ' A' ' 27' ' ' LYS . 3.7 t -69.51 -52.14 29.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.71 56.52 20.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' CG ' ' SG ' ' A' ' 25' ' ' CYS . 17.2 mmmt -122.44 156.12 34.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.436 ' C ' ' HB3' ' A' ' 16' ' ' ARG . 1.4 m -150.67 147.18 27.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' SER . 96.7 m-85 -134.48 161.05 36.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -90.25 -49.13 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.73 104.35 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.49 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 13.5 t -35.44 -31.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.801 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 31' ' ' LYS . 1.7 t -75.97 -46.6 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.533 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 8.1 m170 -32.26 -60.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.9 tp -38.58 -48.46 1.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' SER . 17.7 mmtp -53.58 -45.33 69.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.35 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' ARG . 37.2 t60 -65.29 -65.61 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 92.1 m -34.02 -32.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' HIS . 38.1 mtt180 -47.48 -50.09 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 38' ' ' HIS . 11.6 t -50.78 -29.27 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 43' ' ' THR . 56.4 m-70 -80.39 102.93 9.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 42' ' ' HIS . 19.9 p -155.41 102.39 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.66 25.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -122.97 161.31 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -138.79 101.95 7.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -49.59 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -66.51 127.61 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.6 p -135.07 134.93 40.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.798 ' HA ' HD11 ' A' ' 65' ' ' LEU . 38.2 t -66.08 161.89 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 23.1 m -125.35 102.24 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.594 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 46.5 t-105 -162.72 177.14 9.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -94.01 117.49 30.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.54 37.34 78.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 15.5 t -97.99 -68.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 58.05 44.14 19.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -125.08 109.03 12.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -110.15 172.89 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -153.96 153.16 31.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.74 -46.17 54.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -82.6 177.04 8.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 p -96.27 -53.48 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.41 -49.35 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.41 -49.72 17.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 50' ' ' CYS . 20.8 tp -61.28 -58.88 6.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t -50.95 -35.75 35.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 71' ' ' THR . 37.8 ttt180 -72.44 -22.06 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 69' ' ' ARG . 5.4 t60 -92.01 -63.64 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 13.7 tpt85 -41.95 -31.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' HG3' ' N ' ' A' ' 71' ' ' THR . 11.6 ptp180 -69.45 -39.08 78.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 43.2 p -57.3 -50.75 71.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.162 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.594 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -89.53 -44.43 10.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -135.61 126.4 27.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.23 140.98 15.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -130.91 117.33 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -153.7 142.87 21.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.64 177.54 18.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 85.05 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.316 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -57.68 171.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.3 mp -107.16 150.78 9.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -94.48 -66.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 t -73.49 137.22 44.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -81.55 161.73 23.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -142.19 141.8 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 16' ' ' ARG . 63.0 mt -97.3 142.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB3' ' C ' ' A' ' 28' ' ' THR . 42.6 mtt180 -145.85 115.94 7.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -97.74 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -54.07 107.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -92.19 140.37 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 42.6 t -68.2 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 t -43.04 -53.81 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -53.24 123.67 35.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.288 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.0 -30.84 9.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.0 t -78.03 -66.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.08 52.29 24.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 73.4 mttt -120.46 125.81 48.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.333 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.472 HG23 ' C ' ' A' ' 18' ' ' HIS . 5.1 m -115.95 156.85 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -145.22 147.39 32.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -75.31 -52.71 10.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 9.4 tptm -61.35 104.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.502 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 26.3 t -38.41 -27.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' LYS . 14.4 m -82.63 -46.0 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 6.0 m170 -35.67 -34.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' SER . 20.3 tp -61.78 -54.84 36.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 1.2 ptmm? -57.12 -37.67 72.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -73.0 -12.11 60.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.644 ' O ' HG22 ' A' ' 41' ' ' THR . 46.6 t60 -102.58 -29.06 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -84.65 -39.13 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -49.41 -23.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.7 t -88.76 -29.14 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -57.16 -45.66 83.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.8 p -62.05 -44.85 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.62 155.01 1.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -90.76 -47.37 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.928 0.394 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' A' ' 60' ' ' ALA . 1.2 mptp? -95.54 106.97 30.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.55 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.6 Cg_endo -69.8 -37.9 8.44 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 5.0 m-85 -82.46 128.62 34.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 p -141.69 133.41 27.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 156.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.7 p -89.86 -42.68 11.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -52.9 119.75 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' CYS . 26.2 ttmt -57.56 -67.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' LYS . . . -36.91 -31.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.527 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.6 t -71.47 -59.61 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.75 0.31 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 55.42 32.07 18.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.951 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -109.5 139.06 44.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.579 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 13.9 ptt-85 -132.71 170.93 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 2.5 m-85 -144.35 155.02 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB2' ' HG3' ' A' ' 46' ' ' LYS . . . -78.17 -35.21 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -94.44 151.37 19.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 46.5 p -70.79 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' SER . 3.3 m-20 -37.93 -66.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.23 -51.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 65' ' ' LEU . 2.3 tm? -67.9 -68.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.631 ' N ' HD13 ' A' ' 65' ' ' LEU . 2.1 m -39.11 -34.35 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -77.41 -39.13 48.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 71' ' ' THR . 1.7 t60 -61.47 -52.0 66.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.1 mmm180 -38.16 -35.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' HIS . 32.6 mtm180 -49.18 -46.28 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.9 t -41.61 -23.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' ARG . 78.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 p -133.41 134.46 43.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 59.09 42.2 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.78 56.24 4.39 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -81.24 109.74 16.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 m -132.12 131.22 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.74 150.86 6.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 92.33 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -94.35 -42.1 9.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.722 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.4 mp -52.34 -45.17 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.55 122.52 10.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 13' ' ' SER . 46.5 m -72.02 -54.45 9.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' SER . 28.2 m -34.19 -38.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' SER . 12.2 mmm180 -56.7 156.25 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 15' ' ' ILE . 33.0 mt 52.17 41.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 28' ' ' THR . 17.8 ptt180 -76.63 106.11 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 9.7 m170 -52.01 104.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' H ' HD12 ' A' ' 19' ' ' ILE . 2.1 mp -84.9 152.51 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -75.47 131.75 40.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -66.39 -50.66 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.11 130.38 59.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 161.59 45.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 -48.59 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.4 t -41.57 -47.89 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 48.66 50.48 25.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -123.11 120.66 33.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 19' ' ' ILE . 1.8 m -115.77 151.92 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -138.68 152.17 47.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -80.12 -49.02 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -59.25 101.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 9.3 p -41.6 -34.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 34' ' ' HIS . 26.8 t -75.77 -48.6 21.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 5.9 m170 -32.06 -58.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 18' ' ' HIS . 37.6 tp -37.79 -60.0 0.76 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -45.88 -44.18 14.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.4 -47.73 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.839 ' O ' HG22 ' A' ' 41' ' ' THR . 27.7 t60 -55.87 -52.38 64.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.5 m -37.29 -39.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 43' ' ' THR . 65.5 mtm180 -52.58 -46.19 66.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.839 HG22 ' O ' ' A' ' 38' ' ' HIS . 12.4 t -42.88 -23.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ARG . 74.6 m-70 -82.26 17.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 40' ' ' ARG . 1.9 p -53.33 -56.62 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.71 71.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.7 -64.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.378 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.44 106.1 50.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.661 2.241 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 62' ' ' SER . 97.8 m-85 -126.11 117.59 23.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.8 p -131.88 130.65 41.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.4 139.04 25.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 m -111.52 12.71 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.4 ' CD1' ' CE1' ' A' ' 72' ' ' HIS . 18.5 t-105 -70.96 136.21 48.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -61.01 132.9 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.19 -56.72 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.4 t -38.79 -68.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 64.7 37.05 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -98.52 172.56 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -164.25 166.75 20.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -154.17 145.76 23.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.42 -46.03 88.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -87.8 166.0 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 48' ' ' PHE . 7.6 t -84.61 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 7.4 p-10 -33.63 -45.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.81 -54.43 46.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.828 HD13 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -67.52 -56.67 8.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.828 ' N ' HD13 ' A' ' 65' ' ' LEU . 5.5 p -44.6 -48.2 10.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.0 -34.73 78.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -79.06 -19.59 50.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 tpt85 -88.22 -34.57 17.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.1 ptt85 -73.4 -32.92 64.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 68' ' ' HIS . 7.7 t -63.98 -22.59 66.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.054 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.4 ' CE1' ' CD1' ' A' ' 52' ' ' TRP . 14.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t 65.33 42.54 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.77 -155.56 7.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -153.86 148.39 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 m -153.21 162.34 41.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.22 116.42 3.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.15 2.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.656 2.238 . . . . 0.0 112.393 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -60.97 160.23 10.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.79 -22.97 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -148.94 171.05 16.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 m -131.93 123.02 26.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -120.24 125.5 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -61.88 153.86 27.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -109.89 148.61 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.095 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.594 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.6 ptp180 -52.67 112.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -97.92 -71.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' THR . 43.1 m-70 -52.28 105.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.774 HD13 HG21 ' A' ' 28' ' ' THR . 2.9 mm -88.14 114.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -52.08 110.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -42.1 -46.64 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.07 113.69 4.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -50.02 -31.15 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -49.82 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.379 . . . . 0.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.13 70.23 0.95 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -133.34 138.02 46.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.007 HG23 ' O ' ' A' ' 18' ' ' HIS . 15.4 m -140.27 141.58 35.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 38' ' ' HIS . 90.1 m-85 -122.13 143.86 49.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -66.43 -53.04 40.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 52.6 mmtt -60.01 102.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.656 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 24.7 p -38.85 -25.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 31' ' ' LYS . 87.6 p -84.41 -49.08 9.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.541 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 3.4 m170 -32.85 -59.11 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 18' ' ' HIS . 10.0 tp -33.48 -58.18 0.41 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -42.97 -43.95 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.991 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.2 -36.76 83.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . 28.4 t60 -70.51 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.5 m -40.8 -31.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -61.15 -43.7 98.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -47.78 -33.36 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -70.14 -58.44 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 t -77.14 147.23 36.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -119.97 166.85 13.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 47' ' ' PRO . 19.5 mt-10 -93.51 -53.27 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 58.1 mttp 61.89 47.97 1.19 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.75 -12.91 33.88 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.624 2.216 . . . . 0.0 112.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -106.86 167.79 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.1 p -162.59 165.38 26.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 16.2 t -66.39 165.49 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.7 p -89.66 -46.83 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -55.71 124.66 18.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -56.73 -62.05 2.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.2 -43.36 5.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.5 t -71.9 119.94 16.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.04 10.72 40.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmp_? -74.55 116.48 15.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -108.12 169.86 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CZ ' ' CG ' ' A' ' 68' ' ' HIS . 34.8 m-85 -148.79 162.88 38.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.77 -46.75 5.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -92.23 131.36 37.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 t -48.35 -50.27 31.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.8 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.98 -58.46 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -46.51 -46.93 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 50' ' ' CYS . 10.4 tp -63.97 -49.69 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -54.52 -41.9 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 ttt-85 -66.86 -57.02 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.789 ' O ' HG22 ' A' ' 71' ' ' THR . 17.5 t60 -44.75 -53.1 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' HIS . 8.7 mtm105 -34.48 -40.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -43.96 -52.33 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' HIS . 12.3 t -40.74 -33.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -166.08 162.48 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -161.68 160.89 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.98 117.82 0.52 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -149.58 138.56 21.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -131.58 146.2 52.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.98 -162.77 11.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.432 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 143.0 49.29 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 2.246 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.06 -20.94 43.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 pt -89.43 12.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -43.73 -49.45 7.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -81.53 -46.51 14.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.6 m -44.77 -58.13 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -55.21 150.71 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' C ' ' HG3' ' A' ' 16' ' ' ARG . 26.8 mt -116.67 139.55 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' HB3' HG22 ' A' ' 28' ' ' THR . 36.4 mtm180 -152.26 103.1 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -97.94 -68.59 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.59 ' HD1' HD12 ' A' ' 35' ' ' LEU . 11.5 m-70 -52.43 103.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 28' ' ' THR . 4.3 mm -84.77 139.77 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.01 123.35 18.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 t -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -61.81 116.49 21.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.88 -46.89 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.597 2.198 . . . . 0.0 112.323 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.15 -31.55 62.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.524 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.5 t -66.97 -65.34 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.867 0.365 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.51 61.22 2.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 2.0 tppt? -129.97 124.04 32.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.603 ' CG2' HD13 ' A' ' 19' ' ' ILE . 11.6 m -130.4 151.94 50.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.18 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CE2' ' HG3' ' A' ' 27' ' ' LYS . 75.8 m-85 -147.49 127.79 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.5 t80 -46.39 -50.35 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 11.2 mmmt -59.67 102.39 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.578 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 66.3 m -42.19 -48.75 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.773 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' HIS . 45.2 p -61.04 -55.14 36.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 7.1 m170 -35.04 -63.52 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.66 -67.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 1.023 ' N ' HD13 ' A' ' 35' ' ' LEU . 8.0 mtmp? -37.86 -44.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -60.59 -51.62 68.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' O ' HG22 ' A' ' 41' ' ' THR . 12.7 t60 -48.95 -52.15 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 97.7 m -34.44 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.189 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HA ' HG22 ' A' ' 43' ' ' THR . 59.9 mtt180 -48.49 -50.07 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 38' ' ' HIS . 14.2 t -47.49 -22.05 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -92.28 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.545 HG22 ' HA ' ' A' ' 40' ' ' ARG . 14.5 t -71.92 155.56 40.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.72 177.74 27.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -137.42 132.35 33.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -98.41 137.46 20.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.658 0.742 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.87 -2.66 10.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 74.0 m-85 -139.04 117.51 12.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.9 p -123.45 126.31 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -44.05 -51.6 7.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 m 61.47 46.02 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.492 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 15.4 t-105 -84.72 178.32 7.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -63.15 -29.29 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.05 32.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 49.8 t -94.64 -58.94 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 58.08 41.16 24.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -116.63 114.95 24.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -111.61 158.04 19.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 64' ' ' GLU . 22.2 m-85 -130.79 147.33 52.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.51 -43.39 76.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -99.8 134.01 43.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.536 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 67.8 p -48.56 -57.5 6.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -38.14 -53.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 59' ' ' PHE . 18.7 mm-40 -45.05 -49.6 11.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 48' ' ' PHE . 13.0 tp -64.32 -55.86 18.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -44.59 -42.11 7.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -73.05 -52.52 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 71' ' ' THR . 16.2 t60 -47.62 -39.37 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -39.53 -27.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' HIS . 22.2 ptt180 -53.58 -46.35 70.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 68' ' ' HIS . 9.8 t -45.51 -22.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.434 ' CD2' HG23 ' A' ' 71' ' ' THR . 62.7 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -148.23 141.39 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -155.68 158.33 38.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.47 110.82 0.29 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -147.4 103.57 3.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.346 . . . . 0.0 110.866 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -144.29 154.4 43.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.05 81.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.33 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.294 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -81.38 156.05 25.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.6 mt -70.6 -59.38 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.28 173.64 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.0 p -79.43 143.21 35.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.5 p -163.15 163.41 25.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.062 HD12 ' CD1' ' A' ' 30' ' ' PHE . 78.7 mt -65.76 -25.81 37.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.555 ' O ' HG21 ' A' ' 28' ' ' THR . 8.6 ptm180 48.74 48.02 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -82.29 -68.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 4.7 m-70 -58.64 102.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.829 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.6 mm -88.1 128.61 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.0 t -54.19 -24.39 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 t 56.41 32.11 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLY . 9.2 t60 -123.55 137.64 28.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.6 Cg_endo -69.75 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.223 . . . . 0.0 112.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.94 -28.39 71.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.9 t -97.9 -63.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . . . 59.85 31.43 71.93 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.506 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.68 177.77 5.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.829 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.9 m -156.52 149.65 24.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.405 ' HH ' ' HD1' ' A' ' 38' ' ' HIS . 96.2 m-85 -138.65 155.31 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 1.062 ' CD1' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -87.54 -51.11 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 11.3 mtmt -59.36 102.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.53 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 2.7 t -40.11 -36.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' HIS . 70.0 m -69.28 -53.14 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' SER . 3.1 m170 -32.04 -64.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.3 tp -32.27 -54.4 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -52.65 -50.5 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -66.37 -29.39 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' THR . 38.9 t60 -83.66 -21.95 32.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' LEU . 90.2 m -88.52 -38.13 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.066 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 41' ' ' THR . 6.1 ptp180 -64.32 -31.64 72.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 40' ' ' ARG . 13.0 t -72.1 -37.97 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -43.41 -60.09 1.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 43' ' ' THR . 9.0 t -61.94 114.14 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.085 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.53 -165.22 38.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -79.15 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -92.24 134.53 28.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -38.08 8.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.729 2.286 . . . . 0.0 112.276 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.743 ' HB3' HD22 ' A' ' 65' ' ' LEU . 92.9 m-85 -93.94 144.36 25.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.414 ' CB ' ' HG2' ' A' ' 58' ' ' ARG . 34.5 p -152.3 125.81 8.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.97 140.76 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.2 p -105.48 16.9 24.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 47.8 t-105 -77.21 127.29 32.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.88 129.99 31.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.61 -47.82 3.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.552 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 37.6 t -42.16 -62.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 55' ' ' CYS . 4.0 pt-20 50.99 33.19 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -99.73 120.68 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 70.3 mtt180 -108.86 150.53 27.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 3.3 m-85 -137.26 154.11 50.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.15 -46.72 9.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -68.43 149.09 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 12.7 t -84.88 -41.48 15.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.93 -47.39 74.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -49.44 -49.01 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.7 tp -62.72 -48.89 77.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 m -40.42 -50.8 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -70.9 -48.15 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -45.39 -29.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 70' ' ' ARG . 28.1 mmm-85 -96.0 -43.45 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' ARG . 6.0 mtm180 -33.34 -60.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.1 t -85.68 -29.28 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 1.7 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -82.14 13.15 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 m -63.81 177.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.56 -162.49 9.14 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -153.83 177.74 10.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -112.33 159.46 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.95 167.24 43.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 175.16 8.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -130.7 164.7 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.2 pt -91.28 141.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -91.72 135.32 33.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 p -102.62 17.96 22.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.4 m -81.36 15.21 2.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.785 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.6 ptt85 -86.18 18.0 3.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.8 mt -79.97 102.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.1 ptp180 -68.63 112.07 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.97 -67.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 10.4 m-70 -51.92 108.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -90.55 139.11 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.1 t -57.82 108.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 t -45.32 -44.6 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -52.87 116.73 9.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.803 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 145.93 58.8 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.381 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -43.31 2.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.5 t -49.37 -59.23 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.26 52.48 6.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.551 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 16' ' ' ARG . 7.2 m -158.65 149.91 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -141.18 143.71 34.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' ARG . 3.6 t80 -63.78 -59.78 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 14.9 mtpp -55.59 102.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 12.3 p -38.65 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' HIS . 68.6 m -77.92 -47.75 17.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 6.3 m170 -32.8 -51.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' HIS . 43.4 tp -37.31 -56.44 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -50.28 -51.49 44.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.29 -19.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.574 ' O ' HG22 ' A' ' 41' ' ' THR . 61.6 t60 -93.23 -46.59 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 m -46.18 -27.78 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -48.68 -32.28 8.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 38' ' ' HIS . 6.4 t -80.66 17.02 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.593 ' O ' HG22 ' A' ' 43' ' ' THR . 93.6 m-70 -136.83 178.03 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 43' ' ' THR . 4.1 t 44.12 32.07 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.85 165.38 33.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -136.17 146.32 46.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 6.0 mptt -116.45 116.17 39.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.575 0.702 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.283 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 97.0 m-85 -71.49 120.34 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.822 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.5 p -128.18 145.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.39 142.24 57.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -95.2 17.06 14.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 57.1 t-105 -93.53 120.07 33.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -59.87 123.65 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.15 -45.63 1.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.1 t -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 54.49 41.48 31.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -117.76 128.77 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 87.9 mtm-85 -120.51 176.96 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ARG . 68.4 m-85 -157.82 146.63 19.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.31 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -94.27 142.81 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 t -64.31 -50.27 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -42.67 -44.56 4.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -59.5 -48.88 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 48' ' ' PHE . 60.4 tp -52.74 -61.1 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.5 t -52.42 -53.31 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -58.94 -15.09 11.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 71' ' ' THR . 2.0 t60 -98.16 -28.97 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' HIS . 21.3 mmm-85 -82.15 -35.66 28.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -41.36 -42.16 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 68' ' ' HIS . 8.8 t -69.5 -35.0 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.635 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -141.88 175.08 10.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 110.795 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -141.16 169.46 17.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.18 127.83 6.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -82.96 17.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -64.95 167.78 7.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.63 110.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.08 19.76 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 11' ' ' ASP . 10.7 tt0 -85.69 -35.18 21.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.747 ' O ' HG23 ' A' ' 10' ' ' ILE . 1.7 tp 32.78 34.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 9' ' ' GLN . 37.9 t70 -95.51 139.94 31.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t -144.17 158.52 43.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -106.63 138.38 42.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 14' ' ' ARG . 10.9 ttp-105 -102.95 -6.98 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 30' ' ' PHE . 46.7 mt -61.23 136.19 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 28' ' ' THR . 14.2 ptp180 -152.17 106.83 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.89 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 32' ' ' SER . 8.4 m170 -52.02 105.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.4 mp -88.16 105.97 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.0 t -33.04 -36.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' ILE . 50.5 m 52.79 34.89 17.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 49.5 t60 -105.56 140.02 20.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.0 Cg_endo -69.79 111.6 2.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.57 2.18 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.92 -38.2 3.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -80.55 -63.97 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.88 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.46 54.8 34.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 12.3 tptm -114.35 157.63 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 HG23 ' C ' ' A' ' 18' ' ' HIS . 17.3 m -144.53 151.94 39.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' C ' ' HA ' ' A' ' 16' ' ' ARG . 96.3 m-85 -145.16 151.38 38.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' HG22 ' A' ' 15' ' ' ILE . 16.9 t80 -71.91 -58.55 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 20.1 mmmt -57.06 102.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 77.8 p -42.53 -33.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 34' ' ' HIS . 66.4 m -70.54 -51.71 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.466 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 4.9 m170 -32.38 -59.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 34' ' ' HIS . 22.9 tp -33.07 -60.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -46.91 -48.1 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -64.47 -42.95 95.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.544 ' O ' HG22 ' A' ' 41' ' ' THR . 16.2 t60 -59.9 -52.39 65.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' HIS . 90.6 m -32.36 -35.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' HIS . 58.3 mtp180 -45.15 -51.06 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 38' ' ' HIS . 10.1 t -37.55 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.533 ' CE1' HG23 ' A' ' 41' ' ' THR . 18.9 m-70 -97.67 -49.22 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.2 p -98.48 115.34 28.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.8 -64.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -60.81 142.79 55.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.411 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 9.6 mptt -64.83 131.52 95.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.57 0.7 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.88 27.2 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.4 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -131.63 119.18 21.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -124.61 170.36 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 65' ' ' LEU . 36.7 t -75.63 149.77 38.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -91.74 -21.96 20.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.754 ' CG ' ' CE1' ' A' ' 72' ' ' HIS . 24.9 t-105 -56.24 149.49 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -91.77 111.25 22.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.15 34.04 6.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 10.6 t -109.4 -28.78 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 55' ' ' CYS . 16.8 pt-20 39.34 35.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -116.38 110.89 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mtm-85 -108.96 167.09 10.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -148.49 106.93 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 46' ' ' LYS . . . -44.35 -44.64 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' NE ' ' HB3' ' A' ' 63' ' ' ASP . 25.3 ttp180 -83.72 122.77 29.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -49.02 -43.34 40.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB3' ' NE ' ' A' ' 61' ' ' ARG . 42.6 t0 -59.51 -52.65 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -44.36 -42.96 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 50' ' ' CYS . 35.3 tp -62.31 -50.98 69.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -52.87 -48.35 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.57 -42.49 92.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.827 ' O ' HG22 ' A' ' 71' ' ' THR . 19.8 t60 -64.97 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 68' ' ' HIS . 15.7 mmm-85 -32.81 -37.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 68' ' ' HIS . 42.4 mtt180 -36.9 -48.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 68' ' ' HIS . 3.1 t -53.14 -41.47 65.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.754 ' CE1' ' CG ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -147.6 153.94 40.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -136.17 150.55 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.31 105.51 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -88.16 117.26 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -90.07 146.84 24.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.79 169.29 35.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 159.33 53.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.636 2.224 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -67.77 -43.28 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 10' ' ' ILE . 37.3 mm 55.16 47.3 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.96 -48.78 5.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 p -55.79 168.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.3 m -74.99 154.71 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mtm-85 -127.83 129.12 46.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 15' ' ' ILE . 15.6 mt -114.76 15.43 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' HB2' HG22 ' A' ' 28' ' ' THR . 16.2 ptp180 -52.41 109.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.98 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' THR . 8.0 m170 -54.73 112.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.815 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.9 OUTLIER -98.63 109.73 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -45.88 -34.65 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m 52.22 35.65 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.915 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 9.2 t60 -96.49 139.95 21.94 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.622 0.725 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.81 105.07 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.707 2.271 . . . . 0.0 112.295 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -46.17 1.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -69.42 -63.92 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 57.06 69.19 1.35 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 21.3 tptt -121.36 134.81 55.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 18' ' ' HIS . 9.2 m -131.7 143.7 50.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' CG ' ' A' ' 34' ' ' HIS . 88.1 m-85 -130.1 156.73 44.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CB ' ' O ' ' A' ' 15' ' ' ILE . 6.6 p90 -105.67 -3.55 22.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.935 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' SER . 33.7 mmtt -100.06 7.32 44.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.47 ' HB2' ' NE2' ' A' ' 18' ' ' HIS . 95.9 p 34.4 31.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 31' ' ' LYS . 68.4 m -117.98 -38.1 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CG ' ' CE2' ' A' ' 29' ' ' TYR . 2.3 m-70 -60.62 -59.64 5.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 34' ' ' HIS . 35.1 tp -32.33 -43.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -64.8 -53.54 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -85.08 9.49 14.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' HIS . 15.0 t60 -116.99 -21.58 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 92.1 m -83.64 -33.04 25.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.166 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 43' ' ' THR . 63.6 mtm180 -48.81 -48.93 41.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.4 t -61.95 -39.55 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' THR . 2.9 m-70 -53.95 -52.11 61.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 40' ' ' ARG . 11.5 t -69.78 146.52 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.081 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 132.09 77.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -81.63 -47.21 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -66.55 111.96 8.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -26.73 27.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.641 2.227 . . . . 0.0 112.401 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 27.4 m-85 -95.7 18.0 13.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.2 p -52.03 122.6 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.89 163.27 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.5 p -149.8 108.54 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 25.9 t-105 -144.7 172.91 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.07 -42.35 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.6 51.49 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 44.8 t -121.53 123.12 41.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -112.2 13.23 20.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.42 131.59 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -138.12 133.29 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -133.68 156.46 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.79 -40.56 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.72 169.23 17.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 84.0 p -89.0 -47.56 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.21 -53.19 22.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -47.41 -59.32 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -53.94 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -43.71 -41.27 4.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -66.1 -41.72 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 69' ' ' ARG . 9.1 t60 -67.82 -45.56 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 70' ' ' ARG . 11.5 mmm180 -36.43 -43.41 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.2 ptm180 -33.88 -44.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 p -47.76 -51.24 23.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -149.38 156.74 42.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -128.34 160.29 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.6 132.38 7.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -144.08 161.22 39.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 0.0 110.926 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -76.58 148.02 37.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.42 142.1 15.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 110.7 2.62 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -93.28 128.98 39.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.54 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -83.02 -59.01 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -139.95 132.24 28.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.4 p -99.09 132.59 44.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -146.12 138.98 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.8 mp -79.59 146.21 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HD3' ' C ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -147.7 139.1 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.506 ' H ' ' N ' ' A' ' 30' ' ' PHE . 67.6 m -147.17 173.13 12.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.707 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.9 m-70 66.47 48.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.722 HG13 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -55.87 112.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.7 t -33.49 -34.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.4 t 53.98 32.11 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 7.4 t60 -101.09 141.18 22.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.574 0.702 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 53.3 Cg_endo -69.8 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.352 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.75 -48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -63.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.35 99.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.31 160.56 37.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG13 ' A' ' 19' ' ' ILE . 1.7 m -134.39 163.03 30.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 17' ' ' SER . 84.4 m-85 -157.9 102.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.506 ' N ' ' H ' ' A' ' 17' ' ' SER . 3.6 p90 -37.33 -46.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB3' ' CG ' ' A' ' 34' ' ' HIS . 1.6 tppt? -69.39 128.03 35.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 33.5 p -62.18 -42.13 98.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -64.72 -46.02 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.419 ' CG ' ' HB3' ' A' ' 31' ' ' LYS . 4.3 m170 -37.68 -53.99 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 18' ' ' HIS . 53.8 tp -48.04 -51.16 25.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.91 -39.2 62.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.95 -46.24 53.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . 6.1 t60 -64.56 -62.11 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 52.6 m -35.84 -41.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 43' ' ' THR . 15.9 mtp180 -52.36 -46.62 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.4 p -38.02 -33.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -74.92 -61.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 40' ' ' ARG . 9.0 t -64.43 139.98 58.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.42 -159.58 27.76 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.411 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.0 155.63 39.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.918 0.389 . . . . 0.0 110.917 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -106.15 112.2 64.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.656 0.741 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 -50.42 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 62' ' ' SER . 86.6 m-85 -78.03 120.65 23.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 58' ' ' ARG . 75.9 p -133.88 136.32 44.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.2 t -50.45 -66.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 t 58.79 47.86 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' LYS . 55.1 t-105 -83.97 173.89 10.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' TRP . 20.4 tptm -33.94 -47.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -143.64 39.86 1.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.03 135.52 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -115.83 13.16 16.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -75.3 149.31 38.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 11.7 ptp85 -150.2 176.86 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 8.1 m-85 -154.79 158.93 40.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.15 -51.27 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.75 139.09 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 48' ' ' PHE . 1.1 t -61.0 -46.35 91.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.66 -51.56 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -54.43 -52.61 61.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 48' ' ' PHE . 20.1 tp -49.85 -62.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t -38.16 -47.78 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -59.13 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 5.5 t60 -40.4 -53.35 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -37.25 -45.03 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 69' ' ' ARG . 60.7 mtt180 -35.22 -50.31 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.1 p -40.23 -52.39 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -145.81 152.97 40.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m -139.67 125.35 19.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.87 -158.99 28.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -127.38 152.97 46.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -86.65 -59.81 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.31 128.02 1.06 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.08 46.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -93.38 132.13 37.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.11 108.98 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -87.28 173.38 9.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 t -142.49 151.4 41.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -149.68 170.49 18.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' HB3' ' CG ' ' A' ' 30' ' ' PHE . 21.5 mmt180 -116.44 156.36 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.4 105.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HA ' ' N ' ' A' ' 30' ' ' PHE . 16.1 ptt-85 -66.16 104.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.84 -70.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.582 ' CG ' ' HA ' ' A' ' 32' ' ' SER . 17.0 m-70 -53.71 109.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.1 mp -93.4 153.1 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' SER . 44.6 t -65.72 102.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' CYS . 33.7 t -36.78 -38.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -58.83 128.92 84.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.57 0.7 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 148.31 65.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.736 2.29 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.97 -40.82 3.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.01 -69.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.37 -22.53 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -52.05 106.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 19' ' ' ILE . 7.4 m -102.27 155.41 18.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.57 133.47 34.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CG ' ' HB3' ' A' ' 14' ' ' ARG . 2.7 p90 -60.19 -42.04 94.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.6 106.29 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.582 ' HA ' ' CG ' ' A' ' 18' ' ' HIS . 8.0 t -42.11 -57.95 2.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -53.89 -58.42 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.824 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' SER . 11.2 m170 -32.56 -65.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.033 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -37.42 -62.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 1.033 ' N ' HD13 ' A' ' 35' ' ' LEU . 5.1 mtpm? -48.0 -47.09 33.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -21.22 59.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.557 ' HA ' HG23 ' A' ' 41' ' ' THR . 23.6 t60 -88.96 -43.3 11.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -43.33 -33.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -69.87 -36.0 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 38' ' ' HIS . 44.4 p -39.19 -36.51 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -76.36 -56.27 4.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 t -80.08 122.06 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -164.43 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.96 -56.76 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.93 0.395 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -87.97 108.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -28.23 25.87 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.67 157.15 16.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.9 p -160.85 155.1 23.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -82.88 123.44 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -87.77 6.8 33.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -61.29 158.09 15.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 125.29 34.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.15 -37.95 3.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.416 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 t -40.43 -68.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 63.13 41.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -134.53 110.75 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -100.67 178.5 4.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.37 169.89 22.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.64 -50.02 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -82.51 155.81 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.3 p -81.33 -40.98 22.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.84 -56.56 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -48.99 -42.0 36.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.61 -41.38 79.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 m -55.62 -39.8 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -83.8 -26.58 29.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 2.0 t60 -84.57 -10.36 57.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -94.11 -48.39 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -63.92 -27.28 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -66.89 -36.1 81.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -144.7 118.69 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -151.15 173.03 14.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.77 116.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -149.15 142.65 25.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.876 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -152.02 162.64 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.3 113.34 1.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.455 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -176.48 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.64 2.227 . . . . 0.0 112.305 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -61.85 129.99 43.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 pt -112.49 158.87 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -71.46 153.45 42.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -45.63 -56.63 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.4 p -99.27 124.49 44.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' C ' HG13 ' A' ' 15' ' ' ILE . 24.2 ptt180 -82.42 15.33 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG22 ' HB2' ' A' ' 30' ' ' PHE . 36.7 mt -143.45 121.82 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.3 ptt85 -150.61 108.29 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -98.03 -65.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' THR . 9.7 m170 -51.88 105.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.668 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.3 mp -86.17 137.69 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.499 ' HA ' HD11 ' A' ' 35' ' ' LEU . 8.7 t -65.47 110.91 2.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' CYS . 40.7 t -34.47 -50.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.69 119.8 50.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.06 -36.02 34.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -65.88 -58.36 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.15 51.67 26.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.27 138.78 54.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 18' ' ' HIS . 14.7 m -138.36 150.06 46.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -140.58 142.31 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HB2' HG22 ' A' ' 15' ' ' ILE . 9.3 t80 -63.84 -57.45 9.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 24.0 mmtm -52.89 101.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.588 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 58.7 m -41.43 -29.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 34' ' ' HIS . 9.9 t -77.33 -48.93 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.54 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 5.0 m170 -32.65 -57.94 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 20' ' ' CYS . 16.3 tp -40.32 -54.78 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -48.65 -42.06 33.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.4 -37.79 71.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -72.26 -23.82 61.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 m -86.04 -29.62 23.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -45.68 -50.12 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 42' ' ' HIS . 9.3 t -62.36 -46.22 89.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.519 ' N ' HG23 ' A' ' 41' ' ' THR . 23.1 m-70 -46.11 -50.16 15.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.9 p -81.83 -61.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.48 -139.53 10.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 47' ' ' PRO . 15.9 mt-10 -88.08 -65.3 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CE ' ' HB2' ' A' ' 58' ' ' ARG . 8.9 pttt -50.96 105.71 0.56 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 48' ' ' PHE . 53.7 Cg_endo -69.76 -27.82 25.98 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.387 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.581 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 69.4 m-85 -82.43 18.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 25.2 p -57.91 127.44 32.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 27.4 t -52.22 150.79 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.3 t -111.07 17.12 20.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 55' ' ' CYS . 1.1 t-105 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -98.0 -69.38 0.76 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.25 -51.55 41.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 52' ' ' TRP . 1.4 t -55.26 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 58.42 46.09 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' O ' ' CE2' ' A' ' 59' ' ' PHE . 14.8 mmt180 -117.98 111.08 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -93.31 161.42 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' C ' ' HB2' ' A' ' 46' ' ' LYS . 4.7 m-85 -152.68 127.69 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . . . -73.63 -28.2 61.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -82.55 160.15 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.581 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p -83.5 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -39.81 -48.35 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -43.28 -55.16 4.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD11 ' HE ' ' A' ' 69' ' ' ARG . 34.8 tp -61.6 -47.64 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -50.19 -53.52 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 71' ' ' THR . 6.3 tpp180 -75.62 -27.75 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CD2' ' CE2' ' A' ' 59' ' ' PHE . 42.1 t60 -76.68 -20.15 56.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HE ' HD11 ' A' ' 65' ' ' LEU . 15.4 mmt180 -87.86 -53.81 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 70' ' ' ARG . 1.9 ptm85 -48.31 -20.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 67' ' ' ARG . 73.1 p -81.85 -36.39 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -85.66 17.79 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -81.34 176.41 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.67 155.84 21.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -122.11 130.43 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.413 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 169.32 10.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.18 -153.45 6.52 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 120.13 6.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.779 2.319 . . . . 0.0 112.305 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.11 -42.09 93.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.9 pt -138.96 152.77 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -85.77 167.81 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -139.51 125.14 19.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 93.3 p -167.91 161.99 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -74.99 -12.61 60.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 15' ' ' ILE . 13.8 mt 60.86 48.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB3' HG22 ' A' ' 28' ' ' THR . 56.2 mtm180 -74.39 108.36 7.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.88 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.8 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.614 ' O ' HG23 ' A' ' 28' ' ' THR . 9.7 m-70 -53.4 103.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 28' ' ' THR . 13.4 mm -86.77 135.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.5 t -57.96 135.67 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -74.71 -44.9 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -54.66 127.2 59.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 156.86 62.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.33 -43.14 2.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -51.88 -43.69 63.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 47.29 56.12 8.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -121.68 158.39 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.729 ' CG2' HD13 ' A' ' 19' ' ' ILE . 5.6 m -154.11 151.07 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -141.41 120.67 13.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -44.75 -50.62 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HB2' ' CG ' ' A' ' 34' ' ' HIS . 1.5 mptp? -57.47 124.83 20.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.593 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 8.5 t -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 34' ' ' HIS . 18.5 t -69.99 -45.65 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CG ' ' HB2' ' A' ' 31' ' ' LYS . 2.3 m170 -32.69 -61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.3 tp -39.43 -60.6 0.91 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -44.7 -42.28 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.2 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' THR . 49.0 t60 -66.01 -58.88 4.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.6 m -41.28 -34.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -62.25 -40.69 97.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 43' ' ' THR . 53.5 p -53.65 -40.83 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -47.84 -47.76 31.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 41' ' ' THR . 20.5 p 55.17 38.27 30.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.8 -102.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -117.95 166.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER 61.98 46.98 0.99 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.605 0.717 . . . . 0.0 110.832 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.5 Cg_endo -69.84 2.93 3.12 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 152.78 48.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 53.2 p -159.15 158.43 32.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.9 t -109.25 115.4 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t -85.5 111.01 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -168.72 177.94 4.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -99.16 115.35 28.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.29 -42.41 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.512 ' C ' ' HG3' ' A' ' 56' ' ' GLU . 6.4 t -59.09 -61.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HG3' ' C ' ' A' ' 55' ' ' CYS . 2.1 pp20? 36.68 40.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 13.0 mmt180 -105.8 121.12 43.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 20.8 mtp180 -106.66 169.15 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -150.46 164.74 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.39 -48.22 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -96.11 136.87 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t -56.48 -50.18 72.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -38.27 -52.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -53.45 -55.12 27.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.85 -56.37 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -39.73 -52.44 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' CD ' ' HD3' ' A' ' 70' ' ' ARG . 5.7 tmm_? -65.33 -59.87 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.0 t60 -41.28 -50.2 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' HIS . 22.4 mmt180 -36.28 -43.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HD3' ' CD ' ' A' ' 67' ' ' ARG . 8.5 ptm180 -35.27 -47.49 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.5 p -39.77 -47.08 2.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -155.9 131.74 9.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -167.75 154.27 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 172.7 35.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -162.93 157.58 21.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -109.38 177.91 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.23 -162.56 9.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.427 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.86 2.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.641 2.227 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -125.45 147.37 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 pt -119.3 177.22 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.65 177.06 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.4 p -77.65 102.02 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.9 m -97.66 -49.96 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.59 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 8.3 mpt_? -59.41 178.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.96 108.13 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB2' HG22 ' A' ' 28' ' ' THR . 13.2 ptt180 -72.88 108.26 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -68.52 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.626 ' O ' HG23 ' A' ' 28' ' ' THR . 12.4 m-70 -51.96 106.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.804 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.609 HD13 ' CG2' ' A' ' 28' ' ' THR . 3.1 mm -86.58 148.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' SER . 2.4 t -69.49 114.13 7.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' CYS . 15.7 t -35.56 -58.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.31 118.64 32.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.536 0.684 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.41 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.374 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.72 -38.04 9.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t -64.73 -67.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.59 78.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -150.99 158.74 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' HIS . 6.6 m -155.58 151.97 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.29 125.86 14.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 14' ' ' ARG . 5.2 p90 -45.22 -47.66 12.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 30' ' ' PHE . 18.0 mmtp -62.64 113.83 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.593 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 30.3 p -50.2 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 34' ' ' HIS . 63.8 p -47.42 -55.31 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.8 m170 -33.73 -68.12 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -34.91 -68.05 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 1.014 ' N ' HD13 ' A' ' 35' ' ' LEU . 3.4 mtpm? -37.43 -40.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 34' ' ' HIS . . . -68.56 -45.45 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.605 ' O ' HG22 ' A' ' 41' ' ' THR . 2.1 t60 -58.2 -15.24 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -88.25 -36.05 16.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -73.2 -13.04 61.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 38' ' ' HIS . 5.3 t -88.21 -14.86 37.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -66.88 -45.64 77.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.0 p -51.75 -43.1 62.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 163.56 2.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -109.11 144.14 37.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CB ' ' HD3' ' A' ' 58' ' ' ARG . 45.6 mmtt -136.43 102.33 9.74 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.62 7.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.7 m-85 -87.54 129.02 35.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' ARG . 29.7 p -145.91 116.86 7.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' ARG . 5.6 t -52.11 151.56 3.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 t -119.72 107.39 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -162.28 173.67 13.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -96.04 109.86 22.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.62 -48.78 0.96 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.6 t -50.13 -68.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.31 45.62 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 50' ' ' CYS . 6.1 mmp_? -109.55 149.68 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.643 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -144.71 174.06 11.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 3.4 m-85 -151.29 177.99 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HD3' ' A' ' 46' ' ' LYS . . . -96.85 -39.02 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -94.75 145.61 24.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 0.5 OUTLIER -71.91 -20.84 61.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.36 -45.32 19.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -64.78 -39.01 92.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.895 HD13 ' N ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -71.84 -62.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.895 ' N ' HD13 ' A' ' 65' ' ' LEU . 3.3 t -43.14 -48.59 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.492 ' O ' HG23 ' A' ' 71' ' ' THR . 55.8 ttp85 -56.07 -36.5 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.584 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -73.7 -19.0 60.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -80.38 -49.65 11.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -58.6 -31.27 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 67' ' ' ARG . 34.1 p -61.88 -47.76 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 71' ' ' THR . 15.6 m-70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -160.49 159.22 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -119.89 171.86 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.03 -152.45 12.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -153.74 164.67 37.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -100.6 175.29 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.22 -147.94 4.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 147.35 62.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.755 2.303 . . . . 0.0 112.282 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -150.99 116.66 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mp -111.71 137.23 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -54.9 160.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -95.44 -46.23 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -68.13 140.59 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.99 160.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.9 mp -59.38 138.37 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HB2' HG21 ' A' ' 28' ' ' THR . 10.0 ptm180 -146.62 104.41 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -97.93 -75.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 32' ' ' SER . 8.2 m-70 -73.63 101.97 3.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mm -100.41 112.75 34.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.15 -34.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m 55.35 33.87 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 22.1 t60 -107.68 141.27 22.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 22' ' ' HIS . 54.2 Cg_endo -69.7 116.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.82 -46.26 1.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -60.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.42 60.11 7.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -124.43 161.62 25.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 16' ' ' ARG . 63.4 m -148.93 159.01 44.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.507 ' N ' HG22 ' A' ' 28' ' ' THR . 95.1 m-85 -151.05 105.42 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' C ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -32.13 -56.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 34' ' ' HIS . 3.1 ttmm -60.27 151.73 26.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 78.1 p -80.14 -42.93 22.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 84.8 p -65.91 -40.19 91.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' CD2' ' HD2' ' A' ' 31' ' ' LYS . 6.3 m170 -40.01 -68.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 18' ' ' HIS . 30.9 tp -39.62 -47.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -54.48 -40.1 68.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' HIS . . . -70.74 -39.75 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.539 ' O ' HG22 ' A' ' 41' ' ' THR . 7.4 t60 -66.25 -46.36 77.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.6 m -34.66 -32.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 38' ' ' HIS . 76.1 mtp180 -47.41 -52.12 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' HIS . 15.0 t -44.27 -24.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -94.42 -44.48 7.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 50.8 m -68.76 128.13 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.45 -44.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -68.91 147.53 51.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 60.15 45.4 1.06 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.871 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 46' ' ' LYS . 53.8 Cg_endo -69.75 -24.78 29.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 62' ' ' SER . 59.6 m-85 -94.67 151.4 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 92.0 p -157.35 134.49 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 34.1 t -83.37 158.92 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.4 t -140.68 108.54 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.419 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 9.8 t-105 -146.04 172.24 13.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -41.89 -63.5 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.51 39.01 1.72 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 52' ' ' TRP . 2.6 t -74.03 -68.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.727 0.299 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 57.15 45.1 21.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -133.5 110.11 9.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 3.9 ptp180 -103.67 170.79 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -148.61 162.54 39.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.25 -44.99 9.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -84.0 155.2 22.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 47.8 p -80.12 -42.53 23.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -52.84 -57.88 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -43.88 -49.21 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -66.46 -45.33 80.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.5 m -50.15 -35.4 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.2 ttm-85 -89.72 -37.64 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.509 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -72.25 -16.01 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.7 -46.44 7.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.43 -23.29 62.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 68' ' ' HIS . 13.2 t -75.11 -35.25 61.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.86 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 58.05 41.61 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -90.12 142.89 27.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.75 174.92 39.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -161.04 166.13 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -163.98 166.51 21.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 103.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 177.76 5.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.98 162.01 15.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 pt -133.91 166.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -123.79 165.74 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 p -110.28 167.68 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -120.7 151.4 39.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' HD2' ' CE2' ' A' ' 30' ' ' PHE . 17.2 mmt85 -140.1 116.86 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -103.79 112.17 36.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -71.94 105.88 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -97.96 -69.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 32' ' ' SER . 11.6 m-70 -52.32 106.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -88.1 154.51 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.6 t -70.62 130.62 42.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -66.19 -41.15 90.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -55.09 119.23 21.31 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.672 0.748 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 156.79 62.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.7 -43.21 2.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.94 -66.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.55 73.31 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 159.04 43.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' HB2' ' A' ' 16' ' ' ARG . 3.5 m -160.95 152.01 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -150.55 127.84 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 31' ' ' LYS . 1.6 p90 -50.25 -34.06 21.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.5 mmtp -68.54 102.01 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 18' ' ' HIS . 16.9 p -44.18 -45.86 8.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' HIS . 31.1 p -67.6 -54.4 20.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' LEU . 8.2 m170 -35.12 -65.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.003 HD13 ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -33.15 -68.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 1.003 ' N ' HD13 ' A' ' 35' ' ' LEU . 54.8 mttm -36.29 -46.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 39' ' ' THR . . . -61.73 -57.18 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.053 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.54 ' O ' HG22 ' A' ' 41' ' ' THR . 19.4 t60 -44.67 -21.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' N ' ' C ' ' A' ' 37' ' ' ALA . 30.4 m -91.21 -41.73 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -60.23 -10.09 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 38' ' ' HIS . 9.9 t -95.31 -26.78 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' THR . 7.0 m-70 -57.94 -37.18 73.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' HIS . 75.0 p -36.79 -41.34 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.36 116.8 2.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.45 168.65 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mttm -101.93 106.15 45.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.78 -48.55 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 62' ' ' SER . 69.2 m-85 -65.96 132.75 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.4 p -136.03 156.05 49.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.7 159.29 33.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -39.7 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -52.38 134.13 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 55' ' ' CYS . . . -51.1 -48.51 46.24 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t -35.16 -67.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 58.25 44.03 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -123.73 111.14 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.588 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 65.8 mtt85 -98.81 177.52 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' C ' ' A' ' 58' ' ' ARG . 34.2 m-85 -156.19 142.54 18.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.423 ' CB ' ' HE ' ' A' ' 61' ' ' ARG . . . -69.06 -42.66 75.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HE ' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -88.6 153.02 21.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 48' ' ' PHE . 39.9 m -77.98 -40.08 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.64 -48.53 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -48.12 -48.19 34.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.8 tp -56.11 -62.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 t -43.15 -50.3 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -61.51 -37.76 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.57 -57.16 6.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' THR . 17.6 mtm180 -41.78 -45.03 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' ARG . 85.0 mtt-85 -33.68 -35.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 69' ' ' ARG . 72.6 p -56.89 -51.98 66.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.7 p-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -167.61 171.9 9.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -164.42 174.68 10.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.58 -176.22 28.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 p -154.12 170.91 20.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.761 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -152.29 174.52 13.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.3 128.2 3.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.71 154.28 68.14 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.692 2.261 . . . . 0.0 112.402 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -92.48 161.45 14.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -125.26 156.14 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.71 140.78 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -65.46 -48.84 71.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.1 m -131.44 108.91 9.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.452 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 8.3 ttp-105 -131.87 172.02 12.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -129.86 133.87 63.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.71 ' HB2' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -148.62 117.7 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -98.0 -69.26 0.77 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.772 ' O ' HG23 ' A' ' 28' ' ' THR . 9.9 m170 -52.33 110.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 19' ' ' ILE . 1.2 mp -93.32 144.31 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 2.2 t -62.51 133.68 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 t -72.81 -43.82 62.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -56.76 126.74 72.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.713 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.55 69.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 -40.22 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.36 -58.94 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.86 53.32 27.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 3.7 tppt? -125.26 124.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' HIS . 34.3 m -127.6 144.13 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -129.73 148.74 51.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -74.09 -51.18 16.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' HB2' ' ND1' ' A' ' 34' ' ' HIS . 26.9 mmtm -62.07 102.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 69.7 p -37.82 -32.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 34' ' ' HIS . 3.6 m -73.53 -50.04 23.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' C ' ' O ' ' A' ' 33' ' ' SER . 5.7 m170 -32.22 -57.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 18' ' ' HIS . 32.9 tp -40.64 -46.75 2.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' SER . 37.5 ttpt -54.55 -40.71 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.49 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.875 ' O ' HG22 ' A' ' 41' ' ' THR . 25.5 t60 -66.42 -46.73 75.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -43.8 -34.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -45.54 -50.73 12.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 38' ' ' HIS . 8.9 t -39.89 -29.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.753 ' O ' HG22 ' A' ' 43' ' ' THR . 27.1 m-70 -107.4 120.41 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 42' ' ' HIS . 2.7 t 49.98 32.03 5.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.175 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.72 -38.6 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -108.07 169.1 8.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -116.45 116.72 38.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.572 0.701 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 62' ' ' SER . 69.3 m-85 -76.41 148.39 37.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.471 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 49.4 p -153.31 147.11 25.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 t -112.88 107.91 16.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -98.16 102.01 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CG ' ' O ' ' A' ' 52' ' ' TRP . 52.3 t-105 -117.95 17.81 14.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 52' ' ' TRP . 31.7 mtmm 64.88 39.06 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.18 -34.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -66.56 -69.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 60.66 43.05 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.2 mmt-85 -104.63 108.33 19.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NH1' ' HB3' ' A' ' 49' ' ' SER . 3.4 ptp180 -103.35 156.88 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -143.02 148.88 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -54.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -71.2 162.91 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 93.5 p -88.22 -37.57 15.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -62.2 -50.27 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.32 -45.19 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 48' ' ' PHE . 57.7 tp -63.87 -49.73 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -57.31 -41.43 79.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.8 mtp-105 -75.16 -25.2 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' O ' HG22 ' A' ' 71' ' ' THR . 2.8 t60 -86.94 -20.74 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -92.85 -43.52 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -44.64 -29.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 72' ' ' HIS . 9.6 t -77.36 -41.89 38.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.438 ' N ' HG23 ' A' ' 71' ' ' THR . 11.1 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_